3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C15H14BrCl2N5O — CID 67184068

IUPAC3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)=C(Cl)C1
InChIInChI=1S/C15H14BrCl2N5O/c1-22-6-4-11(10(18)8-22)20-15(24)12-7-13(16)21-23(12)14-9(17)3-2-5-19-14/h2-3,5,7H,4,6,8H2,1H3,(H,20,24)
InChIKeyNHXJLLJMBQCZHF-UHFFFAOYSA-N
MW431.12 g/mol
LogP3.20
Rot. Bonds3

About 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 67184068) has the molecular formula C15H14BrCl2N5O and a molecular weight of 431.12 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID67184068
Molecular FormulaC15H14BrCl2N5O
Molecular Weight431.12 g/mol
Exact Mass428.98
IUPAC Name3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)=C(Cl)C1
InChIInChI=1S/C15H14BrCl2N5O/c1-22-6-4-11(10(18)8-22)20-15(24)12-7-13(16)21-23(12)14-9(17)3-2-5-19-14/h2-3,5,7H,4,6,8H2,1H3,(H,20,24)
InChIKeyNHXJLLJMBQCZHF-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2-cyano-6-methylphenyl)pyrazole-5-carboxamide
CID 71517335
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-[hydroxy(methylamino)methyl]phenyl]pyrazole-5-carboxamide
CID 163577544
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 178066257
3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 143745304
3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 167793226
3-bromo-1-(3-chloro-2-pyridinyl)-N-[3-(1-methyltriazol-4-yl)phenyl]pyrazole-5-carboxamide
CID 154868706
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 67184068) is 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is CN1CCC(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)=C(Cl)C1.
What is the InChIKey of 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is NHXJLLJMBQCZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N5O/c1-22-6-4-11(10(18)8-22)20-15(24)12-7-13(16)21-23(12)14-9(17)3-2-5-19-14/h2-3,5,7H,4,6,8H2,1H3,(H,20,24).
What are the key properties of 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 431.12 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 67184068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).