N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide

C20H21N3O2 — CID 155562166

IUPACN-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(CO)cc1
InChIInChI=1S/C20H21N3O2/c1-14(16-10-8-15(13-24)9-11-16)21-20(25)19-12-18(22-23(19)2)17-6-4-3-5-7-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyVMQKNCAJUWPQRV-CQSZACIVSA-N
MW335.41 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 155562166) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID155562166
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(CO)cc1
InChIInChI=1S/C20H21N3O2/c1-14(16-10-8-15(13-24)9-11-16)21-20(25)19-12-18(22-23(19)2)17-6-4-3-5-7-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyVMQKNCAJUWPQRV-CQSZACIVSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 155562166) is N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(CO)cc1.
What is the InChIKey of N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is VMQKNCAJUWPQRV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(16-10-8-15(13-24)9-11-16)21-20(25)19-12-18(22-23(19)2)17-6-4-3-5-7-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 155562166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).