3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol

C14H18N2O — CID 63272329

IUPAC3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCc1ccccc1Cn1cc(CCCO)cn1
InChIInChI=1S/C14H18N2O/c1-12-5-2-3-7-14(12)11-16-10-13(9-15-16)6-4-8-17/h2-3,5,7,9-10,17H,4,6,8,11H2,1H3
InChIKeyAGGRSYBSLXVPOF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds5

About 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol

3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 63272329) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID63272329
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCc1ccccc1Cn1cc(CCCO)cn1
InChIInChI=1S/C14H18N2O/c1-12-5-2-3-7-14(12)11-16-10-13(9-15-16)6-4-8-17/h2-3,5,7,9-10,17H,4,6,8,11H2,1H3
InChIKeyAGGRSYBSLXVPOF-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-amino-2-methylphenyl)methyl]pyrazol-4-yl]ethanol
CID 68628448
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
4-(3-bromopropyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 63276589
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
CID 62729636
1-[3-(diethylamino)propyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19342891
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide
CID 4863015
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol (CID 63272329) is 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol is Cc1ccccc1Cn1cc(CCCO)cn1.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is AGGRSYBSLXVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-5-2-3-7-14(12)11-16-10-13(9-15-16)6-4-8-17/h2-3,5,7,9-10,17H,4,6,8,11H2,1H3.
What are the key properties of 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol?
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 63272329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).