1,4-dimethyl-3-(3-methylbutyl)pyrazole

C10H18N2 — CID 58990513

IUPAC1,4-dimethyl-3-(3-methylbutyl)pyrazole
SMILESCc1cn(C)nc1CCC(C)C
InChIInChI=1S/C10H18N2/c1-8(2)5-6-10-9(3)7-12(4)11-10/h7-8H,5-6H2,1-4H3
InChIKeyXXAXVKRVZSUDOV-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.32
Rot. Bonds3

About 1,4-dimethyl-3-(3-methylbutyl)pyrazole

1,4-dimethyl-3-(3-methylbutyl)pyrazole (PubChem CID 58990513) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,4-dimethyl-3-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-3-(3-methylbutyl)pyrazole
PubChem CID58990513
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,4-dimethyl-3-(3-methylbutyl)pyrazole
SMILESCc1cn(C)nc1CCC(C)C
InChIInChI=1S/C10H18N2/c1-8(2)5-6-10-9(3)7-12(4)11-10/h7-8H,5-6H2,1-4H3
InChIKeyXXAXVKRVZSUDOV-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-3-(3-methylbutyl)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-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
CID 155131154
1-(1,4-dimethylpyrazol-3-yl)propan-2-one
CID 82594981
1-[(1,4-dimethylpyrazol-3-yl)methyl]-4-methylpyrazol-3-amine
CID 165480403
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
CID 82398939
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
CID 165469366
N-[2-(1,4-dimethylpyrazol-3-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166338655
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
CID 130454077
3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105422777
CID 142335085
CID 142335085

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(3-methylbutyl)pyrazole?
The IUPAC name of 1,4-dimethyl-3-(3-methylbutyl)pyrazole (CID 58990513) is 1,4-dimethyl-3-(3-methylbutyl)pyrazole.
What is the SMILES notation for 1,4-dimethyl-3-(3-methylbutyl)pyrazole?
The canonical SMILES for 1,4-dimethyl-3-(3-methylbutyl)pyrazole is Cc1cn(C)nc1CCC(C)C.
What is the InChIKey of 1,4-dimethyl-3-(3-methylbutyl)pyrazole?
The InChIKey is XXAXVKRVZSUDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)5-6-10-9(3)7-12(4)11-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,4-dimethyl-3-(3-methylbutyl)pyrazole?
1,4-dimethyl-3-(3-methylbutyl)pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(3-methylbutyl)pyrazole is sourced from PubChem (CID 58990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).