1-(2-methylpentyl)pyrazol-3-amine

C9H17N3 — CID 62267103

IUPAC1-(2-methylpentyl)pyrazol-3-amine
SMILESCCCC(C)Cn1ccc(N)n1
InChIInChI=1S/C9H17N3/c1-3-4-8(2)7-12-6-5-9(10)11-12/h5-6,8H,3-4,7H2,1-2H3,(H2,10,11)
InChIKeyFQXHIQPFMTYEFP-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-methylpentyl)pyrazol-3-amine

1-(2-methylpentyl)pyrazol-3-amine (PubChem CID 62267103) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(2-methylpentyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methylpentyl)pyrazol-3-amine
PubChem CID62267103
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(2-methylpentyl)pyrazol-3-amine
SMILESCCCC(C)Cn1ccc(N)n1
InChIInChI=1S/C9H17N3/c1-3-4-8(2)7-12-6-5-9(10)11-12/h5-6,8H,3-4,7H2,1-2H3,(H2,10,11)
InChIKeyFQXHIQPFMTYEFP-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)pyrazol-3-amine?
The IUPAC name of 1-(2-methylpentyl)pyrazol-3-amine (CID 62267103) is 1-(2-methylpentyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methylpentyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methylpentyl)pyrazol-3-amine is CCCC(C)Cn1ccc(N)n1.
What is the InChIKey of 1-(2-methylpentyl)pyrazol-3-amine?
The InChIKey is FQXHIQPFMTYEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-8(2)7-12-6-5-9(10)11-12/h5-6,8H,3-4,7H2,1-2H3,(H2,10,11).
What are the key properties of 1-(2-methylpentyl)pyrazol-3-amine?
1-(2-methylpentyl)pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)pyrazol-3-amine is sourced from PubChem (CID 62267103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).