2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

C7H13N3 — CID 82418317

IUPAC2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C(C)(C)N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5-4-6(10-9-5)7(2,3)8/h4H,8H2,1-3H3,(H,9,10)
InChIKeyANOPUDLTOVXOLQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.91
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (PubChem CID 82418317) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
PubChem CID82418317
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C(C)(C)N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5-4-6(10-9-5)7(2,3)8/h4H,8H2,1-3H3,(H,9,10)
InChIKeyANOPUDLTOVXOLQ-UHFFFAOYSA-N
XLogP0.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (CID 82418317) is 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is Cc1cc(C(C)(C)N)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The InChIKey is ANOPUDLTOVXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-4-6(10-9-5)7(2,3)8/h4H,8H2,1-3H3,(H,9,10).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82418317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).