[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol

C14H18N2O — CID 82049017

IUPAC[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
SMILESCC(C)c1ccc(-c2cc(CO)nn2C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)11-4-6-12(7-5-11)14-8-13(9-17)15-16(14)3/h4-8,10,17H,9H2,1-3H3
InChIKeyOOFVIPHJIIZREF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.70
Rot. Bonds3

About [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol

[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol (PubChem CID 82049017) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
PubChem CID82049017
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
SMILESCC(C)c1ccc(-c2cc(CO)nn2C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)11-4-6-12(7-5-11)14-8-13(9-17)15-16(14)3/h4-8,10,17H,9H2,1-3H3
InChIKeyOOFVIPHJIIZREF-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol (CID 82049017) is [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol is CC(C)c1ccc(-c2cc(CO)nn2C)cc1.
What is the InChIKey of [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol?
The InChIKey is OOFVIPHJIIZREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)11-4-6-12(7-5-11)14-8-13(9-17)15-16(14)3/h4-8,10,17H,9H2,1-3H3.
What are the key properties of [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol?
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol has a molecular weight of 230.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 82049017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).