N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide

C13H15N3O2 — CID 79040356

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c17-9-11-3-1-2-10(6-11)8-14-13(18)7-12-4-5-15-16-12/h1-6,17H,7-9H2,(H,14,18)(H,15,16)
InChIKeyAVAYIRWPJQEELW-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.76
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide

N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 79040356) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID79040356
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c17-9-11-3-1-2-10(6-11)8-14-13(18)7-12-4-5-15-16-12/h1-6,17H,7-9H2,(H,14,18)(H,15,16)
InChIKeyAVAYIRWPJQEELW-UHFFFAOYSA-N
XLogP0.76
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide 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

[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385153
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide (CID 79040356) is N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccn[nH]1)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is AVAYIRWPJQEELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-11-3-1-2-10(6-11)8-14-13(18)7-12-4-5-15-16-12/h1-6,17H,7-9H2,(H,14,18)(H,15,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 79040356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).