(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide

C24H29N3O2 — CID 93005194

IUPAC(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1c(-c2ccccc2OC)n[nH]c1CC(C)C)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-5-18(17-11-7-6-8-12-17)24(28)25-23-20(15-16(2)3)26-27-22(23)19-13-9-10-14-21(19)29-4/h6-14,16,18H,5,15H2,1-4H3,(H,25,28)(H,26,27)/t18-/m1/s1
InChIKeyBWKJOXOZAZSOKS-GOSISDBHSA-N
MW391.52 g/mol
LogP5.42
Rot. Bonds8

About (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide

(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide (PubChem CID 93005194) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
PubChem CID93005194
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1c(-c2ccccc2OC)n[nH]c1CC(C)C)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-5-18(17-11-7-6-8-12-17)24(28)25-23-20(15-16(2)3)26-27-22(23)19-13-9-10-14-21(19)29-4/h6-14,16,18H,5,15H2,1-4H3,(H,25,28)(H,26,27)/t18-/m1/s1
InChIKeyBWKJOXOZAZSOKS-GOSISDBHSA-N
XLogP5.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide 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-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005058
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-[3-(2-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42687103
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
N-[3-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42874047
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide (CID 93005194) is (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1c(-c2ccccc2OC)n[nH]c1CC(C)C)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The InChIKey is BWKJOXOZAZSOKS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-18(17-11-7-6-8-12-17)24(28)25-23-20(15-16(2)3)26-27-22(23)19-13-9-10-14-21(19)29-4/h6-14,16,18H,5,15H2,1-4H3,(H,25,28)(H,26,27)/t18-/m1/s1.
What are the key properties of (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide has a molecular weight of 391.52 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 93005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).