4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole

C15H20N2 — CID 145091367

IUPAC4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole
SMILESCCCc1c(C)ccc(-c2cnn(C)c2)c1C
InChIInChI=1S/C15H20N2/c1-5-6-14-11(2)7-8-15(12(14)3)13-9-16-17(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyIUDPLEVSENYILD-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.66
Rot. Bonds3

About 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole

4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole (PubChem CID 145091367) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole
PubChem CID145091367
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole
SMILESCCCc1c(C)ccc(-c2cnn(C)c2)c1C
InChIInChI=1S/C15H20N2/c1-5-6-14-11(2)7-8-15(12(14)3)13-9-16-17(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyIUDPLEVSENYILD-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole 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-(1-methylpyrazol-4-yl)-2-propylimidazol-4-amine
CID 62219046
2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline
CID 70983985
3-chloro-2-methyl-4-(1-methylpyrazol-4-yl)aniline
CID 171916562
3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
CID 165495050
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62220498
5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
CID 142345155

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole?
The IUPAC name of 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole (CID 145091367) is 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole is CCCc1c(C)ccc(-c2cnn(C)c2)c1C.
What is the InChIKey of 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole?
The InChIKey is IUDPLEVSENYILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-6-14-11(2)7-8-15(12(14)3)13-9-16-17(4)10-13/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole?
4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole is sourced from PubChem (CID 145091367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).