5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol

C18H13ClN4O — CID 135988881

IUPAC5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C18H13ClN4O/c19-13-9-5-4-8-12(13)14-10-20-18(21-14)16-17(24)15(22-23-16)11-6-2-1-3-7-11/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyJAZPYGHOCUICLY-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.49
Rot. Bonds3

About 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol

5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol (PubChem CID 135988881) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
PubChem CID135988881
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C18H13ClN4O/c19-13-9-5-4-8-12(13)14-10-20-18(21-14)16-17(24)15(22-23-16)11-6-2-1-3-7-11/h1-10,24H,(H,20,21)(H,22,23)
InChIKeyJAZPYGHOCUICLY-UHFFFAOYSA-N
XLogP4.49
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol (CID 135988881) is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is JAZPYGHOCUICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-13-9-5-4-8-12(13)14-10-20-18(21-14)16-17(24)15(22-23-16)11-6-2-1-3-7-11/h1-10,24H,(H,20,21)(H,22,23).
What are the key properties of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol?
5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 336.78 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 135988881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).