3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol

C12H9ClN4O — CID 170556885

IUPAC3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol
SMILESOc1c(-c2ccc(Cl)cc2)n[nH]c1-c1cnc[nH]1
InChIInChI=1S/C12H9ClN4O/c13-8-3-1-7(2-4-8)10-12(18)11(17-16-10)9-5-14-6-15-9/h1-6,18H,(H,14,15)(H,16,17)
InChIKeyQECIFOAATXZWFA-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.83
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol

3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol (PubChem CID 170556885) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol
PubChem CID170556885
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol
SMILESOc1c(-c2ccc(Cl)cc2)n[nH]c1-c1cnc[nH]1
InChIInChI=1S/C12H9ClN4O/c13-8-3-1-7(2-4-8)10-12(18)11(17-16-10)9-5-14-6-15-9/h1-6,18H,(H,14,15)(H,16,17)
InChIKeyQECIFOAATXZWFA-UHFFFAOYSA-N
XLogP2.83
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazo[4,5-c]pyridin-2-yl)-5-phenyl-1H-pyrazol-4-ol
CID 135988780
3-phenyl-5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-ol
CID 135857318
2-[5-(6-chloro-3-pyridinyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135988640
5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
CID 135988881
5-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
CID 136435437
5-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-phenyl-1H-pyrazol-4-ol
CID 136435438
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-phenyl-1H-pyrrol-3-ol
CID 136445893
5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol
CID 137285581
2-[3-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 137285582
5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole
CID 141273442
5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol;ethane
CID 143898644
ethane;3-phenyl-5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-ol
CID 143898684

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol?
The IUPAC name of 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol (CID 170556885) is 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol?
The canonical SMILES for 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol is Oc1c(-c2ccc(Cl)cc2)n[nH]c1-c1cnc[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol?
The InChIKey is QECIFOAATXZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-8-3-1-7(2-4-8)10-12(18)11(17-16-10)9-5-14-6-15-9/h1-6,18H,(H,14,15)(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol?
3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol has a molecular weight of 260.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol is sourced from PubChem (CID 170556885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).