3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole

C11H20N2 — CID 131177145

IUPAC3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
SMILESCc1nn(C(C)C(C)C)c(C)c1C
InChIInChI=1S/C11H20N2/c1-7(2)10(5)13-11(6)8(3)9(4)12-13/h7,10H,1-6H3
InChIKeyGPJDWONKPORALK-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.03
Rot. Bonds2

About 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole

3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole (PubChem CID 131177145) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
PubChem CID131177145
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
SMILESCc1nn(C(C)C(C)C)c(C)c1C
InChIInChI=1S/C11H20N2/c1-7(2)10(5)13-11(6)8(3)9(4)12-13/h7,10H,1-6H3
InChIKeyGPJDWONKPORALK-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
CID 130820048
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 81019267
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
CID 94133466
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
N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
CID 62566998
3-(3,4,5-trimethylpyrazol-1-yl)butanethioamide
CID 61226762
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine
CID 66026820
N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441352
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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole?
The IUPAC name of 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole (CID 131177145) is 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole?
The canonical SMILES for 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole is Cc1nn(C(C)C(C)C)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole?
The InChIKey is GPJDWONKPORALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)10(5)13-11(6)8(3)9(4)12-13/h7,10H,1-6H3.
What are the key properties of 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole?
3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 131177145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).