chempirical

4-[(2,6-Dichlorobenzoyl)amino]-N-4-piperidinyl-1H-pyrazole-3-carboxamide

C16H17Cl2N5O2CAS 844442-38-2382.25 g/mol

Open in Covalent MOL file
ONHNHNHNNHOClCl
AmideAryl halideSecondary amine

Properties

Molecular formula
C16H17Cl2N5O2
Molar mass
382.25 g/mol
Exact mass
381.0759 Da
logP
2.83Crippen estimate
Polar surface area
102.4 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Identifiers

CAS number
844442-38-2
SMILES
O=C(NC1CCNCC1)c1n[nH]cc1N=C(O)c1c(Cl)cccc1Cl
InChIKey
OVPNQJVDAFNBDN-UHFFFAOYSA-N
InChI
InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)

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Names and synonyms

6 names
  • 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-
  • 4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide
  • AT 7519
  • AT 7519M
  • AT 7517
  • 4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

Work with 4-[(2,6-Dichlorobenzoyl)amino]-N-4-piperidinyl-1H-pyrazole-3-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tecloftalam76280-91-633 % similar N-4-Piperidinylbenzamide33953-37-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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