(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol

C11H12N2O — CID 54847426

IUPAC(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
SMILESCc1c(-c2ccccc2)n[nH]c1CO
InChIInChI=1S/C11H12N2O/c1-8-10(7-14)12-13-11(8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyMBUYFCPCTRRQQN-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds2

About (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol

(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol (PubChem CID 54847426) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
PubChem CID54847426
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
SMILESCc1c(-c2ccccc2)n[nH]c1CO
InChIInChI=1S/C11H12N2O/c1-8-10(7-14)12-13-11(8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13)
InChIKeyMBUYFCPCTRRQQN-UHFFFAOYSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol (CID 54847426) is (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol is Cc1c(-c2ccccc2)n[nH]c1CO.
What is the InChIKey of (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol?
The InChIKey is MBUYFCPCTRRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-10(7-14)12-13-11(8)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,12,13).
What are the key properties of (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol?
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 54847426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).