2-(1-methylpyrazol-4-yl)propan-2-amine

C7H13N3 — CID 54595161

IUPAC2-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(C(C)(C)N)cn1
InChIInChI=1S/C7H13N3/c1-7(2,8)6-4-9-10(3)5-6/h4-5H,8H2,1-3H3
InChIKeyOSXSDUMYPXFKCT-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)propan-2-amine

2-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 54595161) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID54595161
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(C(C)(C)N)cn1
InChIInChI=1S/C7H13N3/c1-7(2,8)6-4-9-10(3)5-6/h4-5H,8H2,1-3H3
InChIKeyOSXSDUMYPXFKCT-UHFFFAOYSA-N
XLogP0.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)propan-2-amine (CID 54595161) is 2-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)propan-2-amine is Cn1cc(C(C)(C)N)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is OSXSDUMYPXFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,8)6-4-9-10(3)5-6/h4-5H,8H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)propan-2-amine?
2-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 54595161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).