1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole

C20H20N2 — CID 135065600

IUPAC1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole
SMILESC=C(C)Cc1c(-c2ccccc2)nn(C)c1-c1ccccc1
InChIInChI=1S/C20H20N2/c1-15(2)14-18-19(16-10-6-4-7-11-16)21-22(3)20(18)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3
InChIKeyXOJJSJLJNADETQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.87
Rot. Bonds4

About 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole

1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole (PubChem CID 135065600) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole
PubChem CID135065600
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole
SMILESC=C(C)Cc1c(-c2ccccc2)nn(C)c1-c1ccccc1
InChIInChI=1S/C20H20N2/c1-15(2)14-18-19(16-10-6-4-7-11-16)21-22(3)20(18)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3
InChIKeyXOJJSJLJNADETQ-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
CID 21398049
4-[3-(2-hydroxyphenyl)-1-methyl-5-phenylpyrazol-4-yl]butanenitrile
CID 136603806
[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82482177
3,5-bis(2-methylprop-2-enyl)-2,6-diphenylfuro[2,3-b]pyridine
CID 102230931
2-[1-(3,4-dimethylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542757
4-butan-2-yloxy-1-methyl-3,5-diphenylpyrazole
CID 71400546
6-chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol
CID 175772638
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
4,5-diphenyl-1-propylimidazole
CID 14950648

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole?
The IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole (CID 135065600) is 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole.
What is the SMILES notation for 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole?
The canonical SMILES for 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole is C=C(C)Cc1c(-c2ccccc2)nn(C)c1-c1ccccc1.
What is the InChIKey of 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole?
The InChIKey is XOJJSJLJNADETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-15(2)14-18-19(16-10-6-4-7-11-16)21-22(3)20(18)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3.
What are the key properties of 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole?
1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole has a molecular weight of 288.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylprop-2-enyl)-3,5-diphenylpyrazole is sourced from PubChem (CID 135065600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).