3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole

C20H28N2 — CID 146207541

IUPAC3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole
SMILESC=C(CCC)CCc1ccc(-n2ccc(C)n2)c(C(C)C)c1
InChIInChI=1S/C20H28N2/c1-6-7-16(4)8-9-18-10-11-20(19(14-18)15(2)3)22-13-12-17(5)21-22/h10-15H,4,6-9H2,1-3,5H3
InChIKeySUVFWUUOEHWTSD-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.59
Rot. Bonds7

About 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole

3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole (PubChem CID 146207541) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole.

Molecular Properties

Compound Name3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole
PubChem CID146207541
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole
SMILESC=C(CCC)CCc1ccc(-n2ccc(C)n2)c(C(C)C)c1
InChIInChI=1S/C20H28N2/c1-6-7-16(4)8-9-18-10-11-20(19(14-18)15(2)3)22-13-12-17(5)21-22/h10-15H,4,6-9H2,1-3,5H3
InChIKeySUVFWUUOEHWTSD-UHFFFAOYSA-N
XLogP5.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]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-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
CID 126760476
ethyl 3-[3-[4-(3-methylpyrazol-1-yl)-3-propan-2-ylphenyl]phenyl]propanoate
CID 123627119
3-methyl-1-(2-pentan-3-yl-5-propylphenyl)pyrazole
CID 126760325
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283
[3-chloro-4-(3-methylpyrazol-1-yl)phenyl]methanol
CID 81152574
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 82967919
(1S)-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 78941388
1-[4-(3,4-difluorophenyl)-2-hexan-3-ylphenyl]-3-methylpyrazole
CID 134401299
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63070580
[3-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]methanol
CID 62489173
N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 55078546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole?
The IUPAC name of 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole (CID 146207541) is 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole.
What is the SMILES notation for 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole?
The canonical SMILES for 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole is C=C(CCC)CCc1ccc(-n2ccc(C)n2)c(C(C)C)c1.
What is the InChIKey of 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole?
The InChIKey is SUVFWUUOEHWTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-6-7-16(4)8-9-18-10-11-20(19(14-18)15(2)3)22-13-12-17(5)21-22/h10-15H,4,6-9H2,1-3,5H3.
What are the key properties of 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole?
3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole has a molecular weight of 296.46 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(3-methylidenehexyl)-2-propan-2-ylphenyl]pyrazole is sourced from PubChem (CID 146207541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).