1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole

C12H22N2 — CID 130820048

IUPAC1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
SMILESCc1nn(C(C)C(C)(C)C)c(C)c1C
InChIInChI=1S/C12H22N2/c1-8-9(2)13-14(10(8)3)11(4)12(5,6)7/h11H,1-7H3
InChIKeyKDGNNHVGOMOWCW-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.42
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole

1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole (PubChem CID 130820048) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
PubChem CID130820048
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
SMILESCc1nn(C(C)C(C)(C)C)c(C)c1C
InChIInChI=1S/C12H22N2/c1-8-9(2)13-14(10(8)3)11(4)12(5,6)7/h11H,1-7H3
InChIKeyKDGNNHVGOMOWCW-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole 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

3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
CID 131177145
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
CID 64810712
2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide
CID 64705465
2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
CID 64725352
N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62442929
3-(3,4,5-trimethylpyrazol-1-yl)butanethioamide
CID 61226762
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
CID 94133466
N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
CID 62566998
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 81019267
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
CID 115020800

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole (CID 130820048) is 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole is Cc1nn(C(C)C(C)(C)C)c(C)c1C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole?
The InChIKey is KDGNNHVGOMOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8-9(2)13-14(10(8)3)11(4)12(5,6)7/h11H,1-7H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole?
1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole is sourced from PubChem (CID 130820048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).