1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine

C10H19N3 — CID 165479986

IUPAC1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
SMILESCCC(C)(C)Cn1cc(N)c(C)n1
InChIInChI=1S/C10H19N3/c1-5-10(3,4)7-13-6-9(11)8(2)12-13/h6H,5,7,11H2,1-4H3
InChIKeyXXEPGGZDNVGCJX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine

1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine (PubChem CID 165479986) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
PubChem CID165479986
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
SMILESCCC(C)(C)Cn1cc(N)c(C)n1
InChIInChI=1S/C10H19N3/c1-5-10(3,4)7-13-6-9(11)8(2)12-13/h6H,5,7,11H2,1-4H3
InChIKeyXXEPGGZDNVGCJX-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine (CID 165479986) is 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine is CCC(C)(C)Cn1cc(N)c(C)n1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine?
The InChIKey is XXEPGGZDNVGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-10(3,4)7-13-6-9(11)8(2)12-13/h6H,5,7,11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine?
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 165479986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).