4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide

C20H21N3O3 — CID 66589783

IUPAC4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(CO)cc3)n[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-26-18-4-2-3-14(11-18)7-10-17-12-19(23-22-17)21-20(25)16-8-5-15(13-24)6-9-16/h2-6,8-9,11-12,24H,7,10,13H2,1H3,(H2,21,22,23,25)
InChIKeyDPRSWOBINUHRTN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds7

About 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide

4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 66589783) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
PubChem CID66589783
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(CO)cc3)n[nH]2)c1
InChIInChI=1S/C20H21N3O3/c1-26-18-4-2-3-14(11-18)7-10-17-12-19(23-22-17)21-20(25)16-8-5-15(13-24)6-9-16/h2-6,8-9,11-12,24H,7,10,13H2,1H3,(H2,21,22,23,25)
InChIKeyDPRSWOBINUHRTN-UHFFFAOYSA-N
XLogP2.95
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide 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

4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589647
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
CID 67188115
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
CID 66589693
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3,3-dimethylbutanamide
CID 86972583
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide (CID 66589783) is 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide is COc1cccc(CCc2cc(NC(=O)c3ccc(CO)cc3)n[nH]2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is DPRSWOBINUHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-18-4-2-3-14(11-18)7-10-17-12-19(23-22-17)21-20(25)16-8-5-15(13-24)6-9-16/h2-6,8-9,11-12,24H,7,10,13H2,1H3,(H2,21,22,23,25).
What are the key properties of 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 66589783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).