N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C15H19N3O2 — CID 47466334

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C15H19N3O2/c1-18-10-12(8-17-18)6-7-15(20)16-9-13-4-2-3-5-14(13)11-19/h2-5,8,10,19H,6-7,9,11H2,1H3,(H,16,20)
InChIKeyYOZDQVBZSBZIAI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.16
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 47466334) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID47466334
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C15H19N3O2/c1-18-10-12(8-17-18)6-7-15(20)16-9-13-4-2-3-5-14(13)11-19/h2-5,8,10,19H,6-7,9,11H2,1H3,(H,16,20)
InChIKeyYOZDQVBZSBZIAI-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide 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

2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 25281555
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
2-[3-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246619
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
4-[4-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]butanoic acid
CID 119247210
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 47466334) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCc2ccccc2CO)cn1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is YOZDQVBZSBZIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-10-12(8-17-18)6-7-15(20)16-9-13-4-2-3-5-14(13)11-19/h2-5,8,10,19H,6-7,9,11H2,1H3,(H,16,20).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47466334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).