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

C17H22N4O2 — CID 19396369

IUPAC4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc(C)ccc2C)cnn1C
InChIInChI=1S/C17H22N4O2/c1-5-8-18-17(23)15-14(10-19-21(15)4)20-16(22)13-9-11(2)6-7-12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyPWFPSCUNPLPIID-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds5

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

4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide (PubChem CID 19396369) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
PubChem CID19396369
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2cc(C)ccc2C)cnn1C
InChIInChI=1S/C17H22N4O2/c1-5-8-18-17(23)15-14(10-19-21(15)4)20-16(22)13-9-11(2)6-7-12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyPWFPSCUNPLPIID-UHFFFAOYSA-N
XLogP2.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
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
1-methyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396344
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide (CID 19396369) is 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2cc(C)ccc2C)cnn1C.
What is the InChIKey of 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The InChIKey is PWFPSCUNPLPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-8-18-17(23)15-14(10-19-21(15)4)20-16(22)13-9-11(2)6-7-12(13)3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,20,22).
What are the key properties of 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide?
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 19396369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).