5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine

C11H21N3 — CID 165479987

IUPAC5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(C)(C)C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)11(4,5)7-14-9(3)6-10(12)13-14/h6,8H,7H2,1-5H3,(H2,12,13)
InChIKeyJWCAFVHBQXVUIG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds3

About 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine

5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine (PubChem CID 165479987) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine
PubChem CID165479987
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(C)(C)C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)11(4,5)7-14-9(3)6-10(12)13-14/h6,8H,7H2,1-5H3,(H2,12,13)
InChIKeyJWCAFVHBQXVUIG-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine (CID 165479987) is 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine is Cc1cc(N)nn1CC(C)(C)C(C)C.
What is the InChIKey of 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine?
The InChIKey is JWCAFVHBQXVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)11(4,5)7-14-9(3)6-10(12)13-14/h6,8H,7H2,1-5H3,(H2,12,13).
What are the key properties of 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine?
5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3-trimethylbutyl)pyrazol-3-amine is sourced from PubChem (CID 165479987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).