[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol

C12H14N2O — CID 171393071

IUPAC[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1-c1ccnn1C
InChIInChI=1S/C12H14N2O/c1-9-7-10(8-15)3-4-11(9)12-5-6-13-14(12)2/h3-7,15H,8H2,1-2H3
InChIKeyYPQUPFWSTDPKFG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.89
Rot. Bonds2

About [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol

[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol (PubChem CID 171393071) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol
PubChem CID171393071
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1-c1ccnn1C
InChIInChI=1S/C12H14N2O/c1-9-7-10(8-15)3-4-11(9)12-5-6-13-14(12)2/h3-7,15H,8H2,1-2H3
InChIKeyYPQUPFWSTDPKFG-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol (CID 171393071) is [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol is Cc1cc(CO)ccc1-c1ccnn1C.
What is the InChIKey of [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol?
The InChIKey is YPQUPFWSTDPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-7-10(8-15)3-4-11(9)12-5-6-13-14(12)2/h3-7,15H,8H2,1-2H3.
What are the key properties of [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol?
[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol has a molecular weight of 202.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol is sourced from PubChem (CID 171393071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).