4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

C9H9ClN4O — CID 115630356

IUPAC4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H9ClN4O/c1-5-3-12-14-8(5)13-9(15)7-2-6(10)4-11-7/h2-4,11H,1H3,(H2,12,13,14,15)
InChIKeyOPIGIRAOHVDESI-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.95
Rot. Bonds2

About 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 115630356) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID115630356
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C9H9ClN4O/c1-5-3-12-14-8(5)13-9(15)7-2-6(10)4-11-7/h2-4,11H,1H3,(H2,12,13,14,15)
InChIKeyOPIGIRAOHVDESI-UHFFFAOYSA-N
XLogP1.95
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115630183
4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide
CID 115663401
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)furan-3-carboxamide
CID 114821900
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
CID 102989332
N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 79049259
5-cyclopropyl-N-(4-methyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 113236978
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
5-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868632
2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (CID 115630356) is 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is Cc1cn[nH]c1NC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OPIGIRAOHVDESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-5-3-12-14-8(5)13-9(15)7-2-6(10)4-11-7/h2-4,11H,1H3,(H2,12,13,14,15).
What are the key properties of 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 224.65 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 115630356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).