N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C16H10Cl3N5O2 — CID 141152111

IUPACN-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N5O2/c17-8-1-3-10(11(18)5-8)15(25)23-12-7-21-24-14(12)16(26)22-9-2-4-13(19)20-6-9/h1-7H,(H,21,24)(H,22,26)(H,23,25)
InChIKeyBGNJIPWQTMKIIQ-UHFFFAOYSA-N
MW410.65 g/mol
LogP4.27
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 141152111) has the molecular formula C16H10Cl3N5O2 and a molecular weight of 410.65 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID141152111
Molecular FormulaC16H10Cl3N5O2
Molecular Weight410.65 g/mol
Exact Mass408.99
IUPAC NameN-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N5O2/c17-8-1-3-10(11(18)5-8)15(25)23-12-7-21-24-14(12)16(26)22-9-2-4-13(19)20-6-9/h1-7H,(H,21,24)(H,22,26)(H,23,25)
InChIKeyBGNJIPWQTMKIIQ-UHFFFAOYSA-N
XLogP4.27
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
5-chloro-N-(6-chloro-3-pyridinyl)-1H-indazole-3-carboxamide
CID 11449640
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 141152111) is N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is BGNJIPWQTMKIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N5O2/c17-8-1-3-10(11(18)5-8)15(25)23-12-7-21-24-14(12)16(26)22-9-2-4-13(19)20-6-9/h1-7H,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 410.65 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-[(2,4-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).