3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol

C19H19ClN4O — CID 143898816

IUPAC3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol
SMILESCC/C=C\C=C/Cc1[nH]nc(-c2ncc(-c3cccc(Cl)c3)[nH]2)c1O
InChIInChI=1S/C19H19ClN4O/c1-2-3-4-5-6-10-15-18(25)17(24-23-15)19-21-12-16(22-19)13-8-7-9-14(20)11-13/h3-9,11-12,25H,2,10H2,1H3,(H,21,22)(H,23,24)/b4-3-,6-5-
InChIKeyMAMVIULQVQMHOY-OUPQRBNQSA-N
MW354.84 g/mol
LogP4.89
Rot. Bonds6

About 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol (PubChem CID 143898816) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol
PubChem CID143898816
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol
SMILESCC/C=C\C=C/Cc1[nH]nc(-c2ncc(-c3cccc(Cl)c3)[nH]2)c1O
InChIInChI=1S/C19H19ClN4O/c1-2-3-4-5-6-10-15-18(25)17(24-23-15)19-21-12-16(22-19)13-8-7-9-14(20)11-13/h3-9,11-12,25H,2,10H2,1H3,(H,21,22)(H,23,24)/b4-3-,6-5-
InChIKeyMAMVIULQVQMHOY-OUPQRBNQSA-N
XLogP4.89
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-imidazo[4,5-c]pyridin-2-yl)-5-phenyl-1H-pyrazol-4-ol
CID 135988780
3-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol
CID 170556885
2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
CID 175419536
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
3-(6-chloro-3-pyridinyl)-5-(6-isocyano-1H-benzimidazol-2-yl)-1-methylpyrazol-4-ol
CID 135988847
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
1-methyl-5-[5-(2-methylprop-1-enyl)-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]-3-phenylpyrazol-4-ol
CID 136446257
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-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol?
The IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol (CID 143898816) is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol is CC/C=C\C=C/Cc1[nH]nc(-c2ncc(-c3cccc(Cl)c3)[nH]2)c1O.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol?
The InChIKey is MAMVIULQVQMHOY-OUPQRBNQSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-2-3-4-5-6-10-15-18(25)17(24-23-15)19-21-12-16(22-19)13-8-7-9-14(20)11-13/h3-9,11-12,25H,2,10H2,1H3,(H,21,22)(H,23,24)/b4-3-,6-5-.
What are the key properties of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol?
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol has a molecular weight of 354.84 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol is sourced from PubChem (CID 143898816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).