(1-benzyl-5-methylpyrazol-4-yl)methanol

C12H14N2O — CID 66437900

IUPAC(1-benzyl-5-methylpyrazol-4-yl)methanol
SMILESCc1c(CO)cnn1Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-10-12(9-15)7-13-14(10)8-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyMKXLZTDWTYKVAZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About (1-benzyl-5-methylpyrazol-4-yl)methanol

(1-benzyl-5-methylpyrazol-4-yl)methanol (PubChem CID 66437900) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrazol-4-yl)methanol
PubChem CID66437900
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(1-benzyl-5-methylpyrazol-4-yl)methanol
SMILESCc1c(CO)cnn1Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-10-12(9-15)7-13-14(10)8-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyMKXLZTDWTYKVAZ-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)methanol?
The IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)methanol (CID 66437900) is (1-benzyl-5-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-5-methylpyrazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-5-methylpyrazol-4-yl)methanol is Cc1c(CO)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrazol-4-yl)methanol?
The InChIKey is MKXLZTDWTYKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-12(9-15)7-13-14(10)8-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3.
What are the key properties of (1-benzyl-5-methylpyrazol-4-yl)methanol?
(1-benzyl-5-methylpyrazol-4-yl)methanol has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 66437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).