3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole

C21H18N2 — CID 132606805

IUPAC3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole
SMILESCc1cc(C2C=CC=C2)nn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-15-21(19-9-5-6-10-19)22-23(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-15,19H,1H3
InChIKeyKNIZXJHRWFFPSG-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.06
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole

3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole (PubChem CID 132606805) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole
PubChem CID132606805
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole
SMILESCc1cc(C2C=CC=C2)nn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-15-21(19-9-5-6-10-19)22-23(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-15,19H,1H3
InChIKeyKNIZXJHRWFFPSG-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-nitrophenyl)pyrazole
CID 132606811
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
CID 8003571
ethane;(5-methyl-1-phenylpyrazol-3-yl)phosphane
CID 142062673
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
3-(chloromethyl)-5-methyl-1-phenylpyrazole
CID 82126485
5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide
CID 122149765
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole (CID 132606805) is 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole is Cc1cc(C2C=CC=C2)nn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole?
The InChIKey is KNIZXJHRWFFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-15-21(19-9-5-6-10-19)22-23(16)20-13-11-18(12-14-20)17-7-3-2-4-8-17/h2-15,19H,1H3.
What are the key properties of 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole?
3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole has a molecular weight of 298.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole is sourced from PubChem (CID 132606805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).