[2-(4-chloropyrazol-1-yl)phenyl]methanol

C10H9ClN2O — CID 61035792

IUPAC[2-(4-chloropyrazol-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1cc(Cl)cn1
InChIInChI=1S/C10H9ClN2O/c11-9-5-12-13(6-9)10-4-2-1-3-8(10)7-14/h1-6,14H,7H2
InChIKeyZWTXGOISZBZTBR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.02
Rot. Bonds2

About [2-(4-chloropyrazol-1-yl)phenyl]methanol

[2-(4-chloropyrazol-1-yl)phenyl]methanol (PubChem CID 61035792) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is [2-(4-chloropyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-chloropyrazol-1-yl)phenyl]methanol
PubChem CID61035792
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name[2-(4-chloropyrazol-1-yl)phenyl]methanol
SMILESOCc1ccccc1-n1cc(Cl)cn1
InChIInChI=1S/C10H9ClN2O/c11-9-5-12-13(6-9)10-4-2-1-3-8(10)7-14/h1-6,14H,7H2
InChIKeyZWTXGOISZBZTBR-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloropyrazol-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-chloropyrazol-1-yl)phenyl]methanol (CID 61035792) is [2-(4-chloropyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-chloropyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-chloropyrazol-1-yl)phenyl]methanol is OCc1ccccc1-n1cc(Cl)cn1.
What is the InChIKey of [2-(4-chloropyrazol-1-yl)phenyl]methanol?
The InChIKey is ZWTXGOISZBZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-5-12-13(6-9)10-4-2-1-3-8(10)7-14/h1-6,14H,7H2.
What are the key properties of [2-(4-chloropyrazol-1-yl)phenyl]methanol?
[2-(4-chloropyrazol-1-yl)phenyl]methanol has a molecular weight of 208.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloropyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 61035792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).