[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol

C13H16N2O — CID 62729636

IUPAC[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccc(C)c(Cn2cc(CO)cn2)c1
InChIInChI=1S/C13H16N2O/c1-10-3-4-11(2)13(5-10)8-15-7-12(9-16)6-14-15/h3-7,16H,8-9H2,1-2H3
InChIKeyCGQBEUJEBZHAHV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.04
Rot. Bonds3

About [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol

[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 62729636) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID62729636
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccc(C)c(Cn2cc(CO)cn2)c1
InChIInChI=1S/C13H16N2O/c1-10-3-4-11(2)13(5-10)8-15-7-12(9-16)6-14-15/h3-7,16H,8-9H2,1-2H3
InChIKeyCGQBEUJEBZHAHV-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol (CID 62729636) is [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol is Cc1ccc(C)c(Cn2cc(CO)cn2)c1.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is CGQBEUJEBZHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-3-4-11(2)13(5-10)8-15-7-12(9-16)6-14-15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol?
[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 62729636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).