3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide

C19H15BrClN5O2 — CID 178066257

IUPAC3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H15BrClN5O2/c20-16-10-15(26(25-16)17-13(21)5-3-9-22-17)19(28)24-14-6-2-1-4-12(14)18(27)23-11-7-8-11/h1-6,9-11H,7-8H2,(H,23,27)(H,24,28)
InChIKeyCYQUWFJJYBANBF-UHFFFAOYSA-N
MW460.72 g/mol
LogP3.83
Rot. Bonds5

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide (PubChem CID 178066257) has the molecular formula C19H15BrClN5O2 and a molecular weight of 460.72 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
PubChem CID178066257
Molecular FormulaC19H15BrClN5O2
Molecular Weight460.72 g/mol
Exact Mass459.01
IUPAC Name3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C19H15BrClN5O2/c20-16-10-15(26(25-16)17-13(21)5-3-9-22-17)19(28)24-14-6-2-1-4-12(14)18(27)23-11-7-8-11/h1-6,9-11H,7-8H2,(H,23,27)(H,24,28)
InChIKeyCYQUWFJJYBANBF-UHFFFAOYSA-N
XLogP3.83
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-(3-chloro-2-pyridinyl)-N-[7-(cyclopropylcarbamoyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl]pyrazole-5-carboxamide
CID 59549458
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 167793226
N-[2-chloro-6-(cyclobutylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59393576
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-N-[2-bromo-4-chloro-6-(2-cyclopropylethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 66601493
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
3-bromo-N-(5-chloro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 67184068
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
methyl N-[[4-bromo-3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]naphthalene-2-carbonyl]amino]carbamate
CID 59286816
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-2,6-dichloro-N-methylpyridine-4-carboxamide
CID 10141961

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide (CID 178066257) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide is O=C(NC1CC1)c1ccccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is CYQUWFJJYBANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN5O2/c20-16-10-15(26(25-16)17-13(21)5-3-9-22-17)19(28)24-14-6-2-1-4-12(14)18(27)23-11-7-8-11/h1-6,9-11H,7-8H2,(H,23,27)(H,24,28).
What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide?
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 460.72 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 178066257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).