N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide

C23H27N3O — CID 46523369

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-18(2)14-15-22(27)25(3)16-20-17-26(21-12-8-5-9-13-21)24-23(20)19-10-6-4-7-11-19/h4-13,17-18H,14-16H2,1-3H3
InChIKeyBAFDYRNSZQVVHW-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.93
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide (PubChem CID 46523369) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
PubChem CID46523369
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-18(2)14-15-22(27)25(3)16-20-17-26(21-12-8-5-9-13-21)24-23(20)19-10-6-4-7-11-19/h4-13,17-18H,14-16H2,1-3H3
InChIKeyBAFDYRNSZQVVHW-UHFFFAOYSA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 134048588
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119688729
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
CID 122160112
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135460
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119696316

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide (CID 46523369) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide?
The InChIKey is BAFDYRNSZQVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(2)14-15-22(27)25(3)16-20-17-26(21-12-8-5-9-13-21)24-23(20)19-10-6-4-7-11-19/h4-13,17-18H,14-16H2,1-3H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide has a molecular weight of 361.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 46523369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).