3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine

C10H19N3 — CID 61272477

IUPAC3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1nc(C)c(N)c1C
InChIInChI=1S/C10H19N3/c1-5-9(6-2)13-8(4)10(11)7(3)12-13/h9H,5-6,11H2,1-4H3
InChIKeyNXOJKXFZRWOYEP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds3

About 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine

3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine (PubChem CID 61272477) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
PubChem CID61272477
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1nc(C)c(N)c1C
InChIInChI=1S/C10H19N3/c1-5-9(6-2)13-8(4)10(11)7(3)12-13/h9H,5-6,11H2,1-4H3
InChIKeyNXOJKXFZRWOYEP-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine (CID 61272477) is 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1nc(C)c(N)c1C.
What is the InChIKey of 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is NXOJKXFZRWOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-9(6-2)13-8(4)10(11)7(3)12-13/h9H,5-6,11H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine?
3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 61272477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).