1-(2,2-dimethylpropyl)pyrazol-4-amine

C8H15N3 — CID 51000375

IUPAC1-(2,2-dimethylpropyl)pyrazol-4-amine
SMILESCC(C)(C)Cn1cc(N)cn1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-11-5-7(9)4-10-11/h4-5H,6,9H2,1-3H3
InChIKeyLLIRGMHDUSXEBW-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.51
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrazol-4-amine

1-(2,2-dimethylpropyl)pyrazol-4-amine (PubChem CID 51000375) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrazol-4-amine
PubChem CID51000375
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(2,2-dimethylpropyl)pyrazol-4-amine
SMILESCC(C)(C)Cn1cc(N)cn1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-11-5-7(9)4-10-11/h4-5H,6,9H2,1-3H3
InChIKeyLLIRGMHDUSXEBW-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrazol-4-amine (CID 51000375) is 1-(2,2-dimethylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrazol-4-amine is CC(C)(C)Cn1cc(N)cn1.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrazol-4-amine?
The InChIKey is LLIRGMHDUSXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)6-11-5-7(9)4-10-11/h4-5H,6,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)pyrazol-4-amine?
1-(2,2-dimethylpropyl)pyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrazol-4-amine is sourced from PubChem (CID 51000375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).