1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide

C16H20N4O2 — CID 4865439

IUPAC1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccccc2C)cnn1C
InChIInChI=1S/C16H20N4O2/c1-4-9-17-16(22)14-13(10-18-20(14)3)19-15(21)12-8-6-5-7-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyGAVYHDCLOGZFGV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.12
Rot. Bonds5

About 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide

1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide (PubChem CID 4865439) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
PubChem CID4865439
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccccc2C)cnn1C
InChIInChI=1S/C16H20N4O2/c1-4-9-17-16(22)14-13(10-18-20(14)3)19-15(21)12-8-6-5-7-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyGAVYHDCLOGZFGV-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
2-[5-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487704
3-(1-adamantyl)-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-1-phenylpyrazole-4-carboxamide
CID 19396150
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
4-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396338
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396300
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396346
1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide (CID 4865439) is 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2ccccc2C)cnn1C.
What is the InChIKey of 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide?
The InChIKey is GAVYHDCLOGZFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-9-17-16(22)14-13(10-18-20(14)3)19-15(21)12-8-6-5-7-11(12)2/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide?
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 4865439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).