3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol

C13H16N2O — CID 12517384

IUPAC3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CCCO)[nH]n2)cc1
InChIInChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)13-9-12(14-15-13)3-2-8-16/h4-7,9,16H,2-3,8H2,1H3,(H,14,15)
InChIKeyVEOBEPWURRYHFE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds4

About 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol

3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 12517384) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID12517384
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CCCO)[nH]n2)cc1
InChIInChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)13-9-12(14-15-13)3-2-8-16/h4-7,9,16H,2-3,8H2,1H3,(H,14,15)
InChIKeyVEOBEPWURRYHFE-UHFFFAOYSA-N
XLogP2.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol 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-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
1-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(4-methylphenyl)urea
CID 51127515
[4-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 58507099
1-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]azetidin-3-ol
CID 141430315
4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
CID 136758046
5-(hydroxymethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445428
5-(azetidin-3-yloxymethyl)-3-(4-methylphenyl)-1H-pyrazole
CID 141430287
3-(4-methylphenyl)-5-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]-1H-pyrazole
CID 141430319
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55766645
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82472441

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 12517384) is 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol is Cc1ccc(-c2cc(CCCO)[nH]n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is VEOBEPWURRYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)13-9-12(14-15-13)3-2-8-16/h4-7,9,16H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol?
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 12517384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).