1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine

C9H13N3 — CID 84764707

IUPAC1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine
SMILESC=CCn1cc(C2(N)CC2)cn1
InChIInChI=1S/C9H13N3/c1-2-5-12-7-8(6-11-12)9(10)3-4-9/h2,6-7H,1,3-5,10H2
InChIKeyMHIYJFBVELAZEF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine

1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 84764707) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID84764707
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine
SMILESC=CCn1cc(C2(N)CC2)cn1
InChIInChI=1S/C9H13N3/c1-2-5-12-7-8(6-11-12)9(10)3-4-9/h2,6-7H,1,3-5,10H2
InChIKeyMHIYJFBVELAZEF-UHFFFAOYSA-N
XLogP1.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine (CID 84764707) is 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine is C=CCn1cc(C2(N)CC2)cn1.
What is the InChIKey of 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is MHIYJFBVELAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-5-12-7-8(6-11-12)9(10)3-4-9/h2,6-7H,1,3-5,10H2.
What are the key properties of 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine?
1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84764707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).