3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C18H15BrClN5O4 — CID 167793226

IUPAC3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc1OC
InChIInChI=1S/C18H15BrClN5O4/c1-28-13-6-9(16(21)26)11(7-14(13)29-2)23-18(27)12-8-15(19)24-25(12)17-10(20)4-3-5-22-17/h3-8H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyNJQZCIALXZZHGL-UHFFFAOYSA-N
MW480.71 g/mol
LogP3.05
Rot. Bonds6

About 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 167793226) has the molecular formula C18H15BrClN5O4 and a molecular weight of 480.71 g/mol. Its IUPAC name is 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID167793226
Molecular FormulaC18H15BrClN5O4
Molecular Weight480.71 g/mol
Exact Mass479.00
IUPAC Name3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc1OC
InChIInChI=1S/C18H15BrClN5O4/c1-28-13-6-9(16(21)26)11(7-14(13)29-2)23-18(27)12-8-15(19)24-25(12)17-10(20)4-3-5-22-17/h3-8H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyNJQZCIALXZZHGL-UHFFFAOYSA-N
XLogP3.05
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.71
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-methylquinoline-7-carboxamide
CID 167472692
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-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
methyl N-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4,5-dichloro-3-methylbenzoyl]amino]carbamate
CID 59286905
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 178066257
3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-4-chloroquinoline-2-carboxamide
CID 167472699
ethyl N-[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorophenyl]carbamate
CID 140670356
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
methyl N-[[4-bromo-3-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]naphthalene-2-carbonyl]amino]carbamate
CID 59286816
3-bromo-1-(3-chloro-2-pyridinyl)-N-[[1-(2-methoxyphenyl)triazol-4-yl]methyl]pyrazole-5-carboxamide
CID 132551910
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chlorobenzoyl chloride
CID 175324124
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-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 167793226) is 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(C(N)=O)cc1OC.
What is the InChIKey of 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is NJQZCIALXZZHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN5O4/c1-28-13-6-9(16(21)26)11(7-14(13)29-2)23-18(27)12-8-15(19)24-25(12)17-10(20)4-3-5-22-17/h3-8H,1-2H3,(H2,21,26)(H,23,27).
What are the key properties of 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 480.71 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-carbamoyl-4,5-dimethoxyphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167793226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).