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

C21H30N4O2 — CID 21369322

IUPACN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H30N4O2/c1-7-8-13-25-15(3)18(14(2)24-25)23-19(26)16-9-11-17(12-10-16)22-20(27)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,22,27)(H,23,26)
InChIKeyLCDBVNGZCOWZOW-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.54
Rot. Bonds6

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

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 21369322) 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)-4-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
PubChem CID21369322
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C
InChIInChI=1S/C21H30N4O2/c1-7-8-13-25-15(3)18(14(2)24-25)23-19(26)16-9-11-17(12-10-16)22-20(27)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,22,27)(H,23,26)
InChIKeyLCDBVNGZCOWZOW-UHFFFAOYSA-N
XLogP4.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 21369355
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
CID 21369441
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide (CID 21369322) is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide is CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C.
What is the InChIKey of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is LCDBVNGZCOWZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-7-8-13-25-15(3)18(14(2)24-25)23-19(26)16-9-11-17(12-10-16)22-20(27)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,22,27)(H,23,26).
What are the key properties of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide?
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.54, 6 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)-4-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 21369322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).