[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol

C14H18N2O — CID 62489173

IUPAC[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C14H18N2O/c1-10(2)13-6-7-16(15-13)14-5-4-12(9-17)8-11(14)3/h4-8,10,17H,9H2,1-3H3
InChIKeyQCVWACIRSKEQSK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.80
Rot. Bonds3

About [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol

[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol (PubChem CID 62489173) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
PubChem CID62489173
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C14H18N2O/c1-10(2)13-6-7-16(15-13)14-5-4-12(9-17)8-11(14)3/h4-8,10,17H,9H2,1-3H3
InChIKeyQCVWACIRSKEQSK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol (CID 62489173) is [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol is Cc1cc(CO)ccc1-n1ccc(C(C)C)n1.
What is the InChIKey of [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?
The InChIKey is QCVWACIRSKEQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)13-6-7-16(15-13)14-5-4-12(9-17)8-11(14)3/h4-8,10,17H,9H2,1-3H3.
What are the key properties of [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol?
[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol has a molecular weight of 230.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 62489173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).