[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol

C11H11ClN2O — CID 81152574

IUPAC[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
SMILESCc1ccn(-c2ccc(CO)cc2Cl)n1
InChIInChI=1S/C11H11ClN2O/c1-8-4-5-14(13-8)11-3-2-9(7-15)6-10(11)12/h2-6,15H,7H2,1H3
InChIKeyVHIDBRXWGRBANU-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.33
Rot. Bonds2

About [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol

[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol (PubChem CID 81152574) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
PubChem CID81152574
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
SMILESCc1ccn(-c2ccc(CO)cc2Cl)n1
InChIInChI=1S/C11H11ClN2O/c1-8-4-5-14(13-8)11-3-2-9(7-15)6-10(11)12/h2-6,15H,7H2,1H3
InChIKeyVHIDBRXWGRBANU-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 [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol (CID 81152574) is [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol is Cc1ccn(-c2ccc(CO)cc2Cl)n1.
What is the InChIKey of [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol?
The InChIKey is VHIDBRXWGRBANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-4-5-14(13-8)11-3-2-9(7-15)6-10(11)12/h2-6,15H,7H2,1H3.
What are the key properties of [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol?
[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]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 [3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 81152574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).