N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C20H21N3O2 — CID 111335159

IUPACN-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-18(13-22-23(15)17-11-7-4-8-12-17)19(24)21-14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,24)
InChIKeyOZHMGTJWXZPVBV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 111335159) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID111335159
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)(O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-18(13-22-23(15)17-11-7-4-8-12-17)19(24)21-14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,24)
InChIKeyOZHMGTJWXZPVBV-UHFFFAOYSA-N
XLogP2.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide 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

5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 111335159) is N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)(O)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OZHMGTJWXZPVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-18(13-22-23(15)17-11-7-4-8-12-17)19(24)21-14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111335159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).