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

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
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CID 691260
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967
{4-benzyl-1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanol
CID 16190266
3-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82123972
3-(4-ethylphenyl)-5-(oxan-4-yl)-1H-pyrazole
CID 23656792
2-(5-(p-Tolyl)-1H-pyrazol-3-yl)acetonitrile
CID 14911015
3(5)-Ethyl-5(3)-phenylpyrazole
CID 145637
3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
CID 2805406

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).