1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole

C25H19ClN4 — CID 3012934

IUPAC1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole
SMILESClc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-11-13-22(14-12-21)30-25(20-9-5-2-6-10-20)23(17-28-30)24(29-16-15-27-18-29)19-7-3-1-4-8-19/h1-18,24H
InChIKeyUYANWUXPJQIBQD-UHFFFAOYSA-N
MW410.91 g/mol
LogP6.03
Rot. Bonds5

About 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole

1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole (PubChem CID 3012934) has the molecular formula C25H19ClN4 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole
PubChem CID3012934
Molecular FormulaC25H19ClN4
Molecular Weight410.91 g/mol
Exact Mass410.13
IUPAC Name1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole
SMILESClc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN4/c26-21-11-13-22(14-12-21)30-25(20-9-5-2-6-10-20)23(17-28-30)24(29-16-15-27-18-29)19-7-3-1-4-8-19/h1-18,24H
InChIKeyUYANWUXPJQIBQD-UHFFFAOYSA-N
XLogP6.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-(2-phenylpropan-2-yl)-1H-imidazol-4-yl)-1H-pyrazole
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2-[(3-Chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
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1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(1-phenyl-1H-imidazol-4-yl)-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole (CID 3012934) is 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole is Clc1ccc(-n2ncc(C(c3ccccc3)n3ccnc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole?
The InChIKey is UYANWUXPJQIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4/c26-21-11-13-22(14-12-21)30-25(20-9-5-2-6-10-20)23(17-28-30)24(29-16-15-27-18-29)19-7-3-1-4-8-19/h1-18,24H.
What are the key properties of 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole?
1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole has a molecular weight of 410.91 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[imidazol-1-yl(phenyl)methyl]-5-phenylpyrazole is sourced from PubChem (CID 3012934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).