2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine

C10H19N3 — CID 83875873

IUPAC2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine
SMILESCC(C)Cn1nccc1C(C)CN
InChIInChI=1S/C10H19N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyJSQGTTQKKGKRFB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine

2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine (PubChem CID 83875873) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine
PubChem CID83875873
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine
SMILESCC(C)Cn1nccc1C(C)CN
InChIInChI=1S/C10H19N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyJSQGTTQKKGKRFB-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The IUPAC name of 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine (CID 83875873) is 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine is CC(C)Cn1nccc1C(C)CN.
What is the InChIKey of 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine?
The InChIKey is JSQGTTQKKGKRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)7-13-10(4-5-12-13)9(3)6-11/h4-5,8-9H,6-7,11H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine?
2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 83875873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).