[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine

C10H19N3 — CID 105439736

IUPAC[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1CC(C)C
InChIInChI=1S/C10H19N3/c1-4-13-10(5-8(2)3)9(6-11)7-12-13/h7-8H,4-6,11H2,1-3H3
InChIKeyQHXFXTOGMJVKJJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds4

About [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine

[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine (PubChem CID 105439736) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
PubChem CID105439736
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1CC(C)C
InChIInChI=1S/C10H19N3/c1-4-13-10(5-8(2)3)9(6-11)7-12-13/h7-8H,4-6,11H2,1-3H3
InChIKeyQHXFXTOGMJVKJJ-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine (CID 105439736) is [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine is CCn1ncc(CN)c1CC(C)C.
What is the InChIKey of [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine?
The InChIKey is QHXFXTOGMJVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-13-10(5-8(2)3)9(6-11)7-12-13/h7-8H,4-6,11H2,1-3H3.
What are the key properties of [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine?
[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 105439736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).