1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine

C11H17N3 — CID 84772109

IUPAC1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine
SMILESC=Cn1nccc1C1(N)CCCCC1
InChIInChI=1S/C11H17N3/c1-2-14-10(6-9-13-14)11(12)7-4-3-5-8-11/h2,6,9H,1,3-5,7-8,12H2
InChIKeyWBLFVZUKZMUUOY-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine

1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine (PubChem CID 84772109) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine
PubChem CID84772109
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine
SMILESC=Cn1nccc1C1(N)CCCCC1
InChIInChI=1S/C11H17N3/c1-2-14-10(6-9-13-14)11(12)7-4-3-5-8-11/h2,6,9H,1,3-5,7-8,12H2
InChIKeyWBLFVZUKZMUUOY-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine (CID 84772109) is 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine is C=Cn1nccc1C1(N)CCCCC1.
What is the InChIKey of 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine?
The InChIKey is WBLFVZUKZMUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-10(6-9-13-14)11(12)7-4-3-5-8-11/h2,6,9H,1,3-5,7-8,12H2.
What are the key properties of 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine?
1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine has a molecular weight of 191.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpyrazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 84772109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).