3,5-dimethyl-1-(3-methylbutyl)pyrazole

C10H18N2 — CID 59748002

IUPAC3,5-dimethyl-1-(3-methylbutyl)pyrazole
SMILESCc1cc(C)n(CCC(C)C)n1
InChIInChI=1S/C10H18N2/c1-8(2)5-6-12-10(4)7-9(3)11-12/h7-8H,5-6H2,1-4H3
InChIKeyTZILRBNYLVCJPC-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.55
Rot. Bonds3

About 3,5-dimethyl-1-(3-methylbutyl)pyrazole

3,5-dimethyl-1-(3-methylbutyl)pyrazole (PubChem CID 59748002) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylbutyl)pyrazole
PubChem CID59748002
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,5-dimethyl-1-(3-methylbutyl)pyrazole
SMILESCc1cc(C)n(CCC(C)C)n1
InChIInChI=1S/C10H18N2/c1-8(2)5-6-12-10(4)7-9(3)11-12/h7-8H,5-6H2,1-4H3
InChIKeyTZILRBNYLVCJPC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-3-chloropropyl)-3,5-dimethylpyrazole
CID 57143513
2-amino-4-(3,5-dimethylpyrazol-1-yl)butanenitrile
CID 63029530
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
1-ethyl-3,5-dimethylpyrazole
CID 565993
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
2-(3,5-dimethylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 102322542
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
1,3-bis[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]propan-2-ol
CID 15763415
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole (CID 59748002) is 3,5-dimethyl-1-(3-methylbutyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylbutyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(3-methylbutyl)pyrazole is Cc1cc(C)n(CCC(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(3-methylbutyl)pyrazole?
The InChIKey is TZILRBNYLVCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)5-6-12-10(4)7-9(3)11-12/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(3-methylbutyl)pyrazole?
3,5-dimethyl-1-(3-methylbutyl)pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylbutyl)pyrazole is sourced from PubChem (CID 59748002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).