5-chloro-1-phenylpyrazol-4-ol

C9H7ClN2O — CID 117232897

IUPAC5-chloro-1-phenylpyrazol-4-ol
SMILESOc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-8(13)6-11-12(9)7-4-2-1-3-5-7/h1-6,13H
InChIKeyDHRLJBGKJHCAHN-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.23
Rot. Bonds1

About 5-chloro-1-phenylpyrazol-4-ol

5-chloro-1-phenylpyrazol-4-ol (PubChem CID 117232897) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-phenylpyrazol-4-ol
PubChem CID117232897
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-chloro-1-phenylpyrazol-4-ol
SMILESOc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C9H7ClN2O/c10-9-8(13)6-11-12(9)7-4-2-1-3-5-7/h1-6,13H
InChIKeyDHRLJBGKJHCAHN-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenylpyrazol-4-ol?
The IUPAC name of 5-chloro-1-phenylpyrazol-4-ol (CID 117232897) is 5-chloro-1-phenylpyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-phenylpyrazol-4-ol?
The canonical SMILES for 5-chloro-1-phenylpyrazol-4-ol is Oc1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1-phenylpyrazol-4-ol?
The InChIKey is DHRLJBGKJHCAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9-8(13)6-11-12(9)7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of 5-chloro-1-phenylpyrazol-4-ol?
5-chloro-1-phenylpyrazol-4-ol has a molecular weight of 194.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenylpyrazol-4-ol is sourced from PubChem (CID 117232897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).