5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole

C21H20N4 — CID 12992206

IUPAC5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1Cc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C21H20N4/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZCIJZBAUVPXJLF-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.67
Rot. Bonds4

About 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole

5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole (PubChem CID 12992206) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole
PubChem CID12992206
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole
SMILESCc1[nH]nc(-c2ccccc2)c1Cc1c(-c2ccccc2)n[nH]c1C
InChIInChI=1S/C21H20N4/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZCIJZBAUVPXJLF-UHFFFAOYSA-N
XLogP4.67
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole 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-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070
2-(5-phenyl-1H-pyrazol-3-yl)acetonitrile
CID 902140
4-Benzyl-3,5-dimethyl-1H-pyrazole
CID 573277

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole (CID 12992206) is 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole is Cc1[nH]nc(-c2ccccc2)c1Cc1c(-c2ccccc2)n[nH]c1C.
What is the InChIKey of 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole?
The InChIKey is ZCIJZBAUVPXJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-18(20(24-22-14)16-9-5-3-6-10-16)13-19-15(2)23-25-21(19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole?
5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole has a molecular weight of 328.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 12992206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).