1-[(4-fluorophenyl)methyl]pyrazol-4-ol

C10H9FN2O — CID 90457104

IUPAC1-[(4-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)6-13-7-10(14)5-12-13/h1-5,7,14H,6H2
InChIKeyRPWHOGBRQYMQOA-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.78
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]pyrazol-4-ol

1-[(4-fluorophenyl)methyl]pyrazol-4-ol (PubChem CID 90457104) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrazol-4-ol
PubChem CID90457104
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-[(4-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)6-13-7-10(14)5-12-13/h1-5,7,14H,6H2
InChIKeyRPWHOGBRQYMQOA-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrazol-4-ol (CID 90457104) is 1-[(4-fluorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The InChIKey is RPWHOGBRQYMQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)6-13-7-10(14)5-12-13/h1-5,7,14H,6H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
1-[(4-fluorophenyl)methyl]pyrazol-4-ol has a molecular weight of 192.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 90457104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).