5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide

C15H17ClN4O3 — CID 75767511

IUPAC5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(NC(=O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H17ClN4O3/c1-9(21)8-17-15(23)12-7-13(20(2)19-12)18-14(22)10-5-3-4-6-11(10)16/h3-7,9,21H,8H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyOQWXPFSEGZWNLQ-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.44
Rot. Bonds5

About 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide

5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide (PubChem CID 75767511) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
PubChem CID75767511
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
SMILESCC(O)CNC(=O)c1cc(NC(=O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H17ClN4O3/c1-9(21)8-17-15(23)12-7-13(20(2)19-12)18-14(22)10-5-3-4-6-11(10)16/h3-7,9,21H,8H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyOQWXPFSEGZWNLQ-UHFFFAOYSA-N
XLogP1.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide (CID 75767511) is 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide is CC(O)CNC(=O)c1cc(NC(=O)c2ccccc2Cl)n(C)n1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OQWXPFSEGZWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-9(21)8-17-15(23)12-7-13(20(2)19-12)18-14(22)10-5-3-4-6-11(10)16/h3-7,9,21H,8H2,1-2H3,(H,17,23)(H,18,22).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 75767511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).