N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide

C21H30N4O2 — CID 21369441

IUPACN-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CC(C)C)c1C
InChIInChI=1S/C21H30N4O2/c1-6-7-12-25-16(5)20(15(4)24-25)23-21(27)17-10-8-9-11-18(17)22-19(26)13-14(2)3/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyCQFKATPGKCKMKG-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.54
Rot. Bonds8

About N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide (PubChem CID 21369441) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
PubChem CID21369441
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CC(C)C)c1C
InChIInChI=1S/C21H30N4O2/c1-6-7-12-25-16(5)20(15(4)24-25)23-21(27)17-10-8-9-11-18(17)22-19(26)13-14(2)3/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyCQFKATPGKCKMKG-UHFFFAOYSA-N
XLogP4.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoate
CID 4050066
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide (CID 21369441) is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide is CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CC(C)C)c1C.
What is the InChIKey of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide?
The InChIKey is CQFKATPGKCKMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-6-7-12-25-16(5)20(15(4)24-25)23-21(27)17-10-8-9-11-18(17)22-19(26)13-14(2)3/h8-11,14H,6-7,12-13H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide?
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 21369441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).