(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol

C11H11ClN2O — CID 940312

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CO
InChIInChI=1S/C11H11ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3
InChIKeyMOMLHNYGSVMETK-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.33
Rot. Bonds2

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol (PubChem CID 940312) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol
PubChem CID940312
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CO
InChIInChI=1S/C11H11ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3
InChIKeyMOMLHNYGSVMETK-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol (CID 940312) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol is Cc1nn(-c2ccccc2)c(Cl)c1CO.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol?
The InChIKey is MOMLHNYGSVMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol has a molecular weight of 222.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 940312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).