1-(4-chloro-2-fluorophenyl)pyrazol-4-ol

C9H6ClFN2O — CID 12901086

IUPAC1-(4-chloro-2-fluorophenyl)pyrazol-4-ol
SMILESOc1cnn(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H
InChIKeyVLHBTDIDJWOVSV-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.37
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol

1-(4-chloro-2-fluorophenyl)pyrazol-4-ol (PubChem CID 12901086) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)pyrazol-4-ol
PubChem CID12901086
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name1-(4-chloro-2-fluorophenyl)pyrazol-4-ol
SMILESOc1cnn(-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H
InChIKeyVLHBTDIDJWOVSV-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyraclofos
CID 93460
1-phenyl-1H-pyrazol-4-ol
CID 555359
1-(4-chlorophenyl)-1H-pyrazole
CID 12238132
1H-Pyrazol-4-ol, 1-(4-chlorophenyl)-
CID 11217794
Potassium;1-(4-chlorophenyl)pyrazol-3-olate
CID 23721267
5-Chloro-1-phenylpyrazol-4-ol
CID 117232897
1-(4-Chloro-2-fluorophenyl)-1H-pyrazole
CID 146035167
1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-ol
CID 848526
1-(2,4-Dichlorophenyl)-1H-pyrazol-4-ol
CID 2763973
1-(4-fluorophenyl)-1H-pyrazol-4-ol
CID 12901076
3-Chloro-1-(4-fluorophenyl)-1H-pyrazole
CID 21874062
1-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol (CID 12901086) is 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol is Oc1cnn(-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol?
The InChIKey is VLHBTDIDJWOVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-1-2-9(8(11)3-6)13-5-7(14)4-12-13/h1-5,14H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol?
1-(4-chloro-2-fluorophenyl)pyrazol-4-ol has a molecular weight of 212.61 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)pyrazol-4-ol is sourced from PubChem (CID 12901086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).