N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide

C23H28N4O — CID 24650106

IUPACN-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N(C)C
InChIInChI=1S/C23H28N4O/c1-17(2)21(26(3)4)15-24-23(28)20-16-27(19-13-9-6-10-14-19)25-22(20)18-11-7-5-8-12-18/h5-14,16-17,21H,15H2,1-4H3,(H,24,28)
InChIKeyQTDLQBNKNPXUOO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.86
Rot. Bonds7

About N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide

N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 24650106) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID24650106
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N(C)C
InChIInChI=1S/C23H28N4O/c1-17(2)21(26(3)4)15-24-23(28)20-16-27(19-13-9-6-10-14-19)25-22(20)18-11-7-5-8-12-18/h5-14,16-17,21H,15H2,1-4H3,(H,24,28)
InChIKeyQTDLQBNKNPXUOO-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide (CID 24650106) is N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide is CC(C)C(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is QTDLQBNKNPXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(2)21(26(3)4)15-24-23(28)20-16-27(19-13-9-6-10-14-19)25-22(20)18-11-7-5-8-12-18/h5-14,16-17,21H,15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 24650106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).