1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine

C11H17N3 — CID 105445526

IUPAC1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine
SMILESC=CCn1nccc1CCC1(N)CC1
InChIInChI=1S/C11H17N3/c1-2-9-14-10(4-8-13-14)3-5-11(12)6-7-11/h2,4,8H,1,3,5-7,9,12H2
InChIKeyIXTXWLQQAQJSTQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine

1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 105445526) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine
PubChem CID105445526
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine
SMILESC=CCn1nccc1CCC1(N)CC1
InChIInChI=1S/C11H17N3/c1-2-9-14-10(4-8-13-14)3-5-11(12)6-7-11/h2,4,8H,1,3,5-7,9,12H2
InChIKeyIXTXWLQQAQJSTQ-UHFFFAOYSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.49
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-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine (CID 105445526) is 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine is C=CCn1nccc1CCC1(N)CC1.
What is the InChIKey of 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is IXTXWLQQAQJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9-14-10(4-8-13-14)3-5-11(12)6-7-11/h2,4,8H,1,3,5-7,9,12H2.
What are the key properties of 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine?
1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-prop-2-enylpyrazol-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105445526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).