N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C21H22FN3O2 — CID 95782203

IUPACN-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C21H22FN3O2/c1-15-11-20(24-25(15)18-8-3-2-4-9-18)21(27)23-13-16(14-26)12-17-7-5-6-10-19(17)22/h2-11,16,26H,12-14H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyKWHJDYRVQOZUTG-INIZCTEOSA-N
MW367.42 g/mol
LogP2.90
Rot. Bonds7

About N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 95782203) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID95782203
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C21H22FN3O2/c1-15-11-20(24-25(15)18-8-3-2-4-9-18)21(27)23-13-16(14-26)12-17-7-5-6-10-19(17)22/h2-11,16,26H,12-14H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyKWHJDYRVQOZUTG-INIZCTEOSA-N
XLogP2.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-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

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
CID 110000266
N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 95782218
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 95782203) is N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccc2F)nn1-c1ccccc1.
What is the InChIKey of N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is KWHJDYRVQOZUTG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15-11-20(24-25(15)18-8-3-2-4-9-18)21(27)23-13-16(14-26)12-17-7-5-6-10-19(17)22/h2-11,16,26H,12-14H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 95782203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).