5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol

C20H17ClN4O — CID 143898645

IUPAC5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol
SMILESOc1c(C2=C/C=C\CC/C=C\2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C20H17ClN4O/c21-15-11-7-6-10-14(15)16-12-22-20(23-16)18-19(26)17(24-25-18)13-8-4-2-1-3-5-9-13/h2,4-12,26H,1,3H2,(H,22,23)(H,24,25)/b4-2-,9-5-,13-8+
InChIKeyDPHYYBIJCSFZFJ-IYXDRDSMSA-N
MW364.84 g/mol
LogP5.12
Rot. Bonds3

About 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol

5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol (PubChem CID 143898645) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol
PubChem CID143898645
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol
SMILESOc1c(C2=C/C=C\CC/C=C\2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C20H17ClN4O/c21-15-11-7-6-10-14(15)16-12-22-20(23-16)18-19(26)17(24-25-18)13-8-4-2-1-3-5-9-13/h2,4-12,26H,1,3H2,(H,22,23)(H,24,25)/b4-2-,9-5-,13-8+
InChIKeyDPHYYBIJCSFZFJ-IYXDRDSMSA-N
XLogP5.12
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.12
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-(4-chlorophenyl)-5-(1H-imidazol-5-yl)-1H-pyrazol-4-ol
CID 170556885
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
5-[6-[(aminomethylamino)methyl]-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1H-pyrazol-4-ol
CID 137285581
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
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-5-[(2Z,4Z)-hepta-2,4-dienyl]-1H-pyrazol-4-ol
CID 143898816

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol?
The IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol (CID 143898645) is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol?
The canonical SMILES for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol is Oc1c(C2=C/C=C\CC/C=C\2)n[nH]c1-c1ncc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol?
The InChIKey is DPHYYBIJCSFZFJ-IYXDRDSMSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-15-11-7-6-10-14(15)16-12-22-20(23-16)18-19(26)17(24-25-18)13-8-4-2-1-3-5-9-13/h2,4-12,26H,1,3H2,(H,22,23)(H,24,25)/b4-2-,9-5-,13-8+.
What are the key properties of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol?
5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-3-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol has a molecular weight of 364.84 g/mol, XLogP of 5.12, 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-[(1E,3Z,7Z)-cycloocta-1,3,7-trien-1-yl]-1H-pyrazol-4-ol is sourced from PubChem (CID 143898645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).