N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide

C23H28N4O — CID 8915030

IUPACN-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC[C@@H](C)NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-18(2)24-22(28)17-26(3)15-20-16-27(21-13-9-6-10-14-21)25-23(20)19-11-7-5-8-12-19/h5-14,16,18H,4,15,17H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyHYBKZKVRCTZHIL-GOSISDBHSA-N
MW376.50 g/mol
LogP3.89
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide

N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 8915030) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID8915030
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC[C@@H](C)NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-18(2)24-22(28)17-26(3)15-20-16-27(21-13-9-6-10-14-21)25-23(20)19-11-7-5-8-12-19/h5-14,16,18H,4,15,17H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyHYBKZKVRCTZHIL-GOSISDBHSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-butan-2-ylpropanamide
CID 50768344
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55504042
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide (CID 8915030) is N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide is CC[C@@H](C)NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is HYBKZKVRCTZHIL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-18(2)24-22(28)17-26(3)15-20-16-27(21-13-9-6-10-14-21)25-23(20)19-11-7-5-8-12-19/h5-14,16,18H,4,15,17H2,1-3H3,(H,24,28)/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide?
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 8915030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).