1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine

C12H19N3 — CID 84778735

IUPAC1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine
SMILESC=CCn1nccc1C1(N)CCCCC1
InChIInChI=1S/C12H19N3/c1-2-10-15-11(6-9-14-15)12(13)7-4-3-5-8-12/h2,6,9H,1,3-5,7-8,10,13H2
InChIKeyINNGSSIKTBUUQT-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine

1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine (PubChem CID 84778735) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine
PubChem CID84778735
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine
SMILESC=CCn1nccc1C1(N)CCCCC1
InChIInChI=1S/C12H19N3/c1-2-10-15-11(6-9-14-15)12(13)7-4-3-5-8-12/h2,6,9H,1,3-5,7-8,10,13H2
InChIKeyINNGSSIKTBUUQT-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.19
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-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine (CID 84778735) is 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine is C=CCn1nccc1C1(N)CCCCC1.
What is the InChIKey of 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine?
The InChIKey is INNGSSIKTBUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10-15-11(6-9-14-15)12(13)7-4-3-5-8-12/h2,6,9H,1,3-5,7-8,10,13H2.
What are the key properties of 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine?
1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylpyrazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 84778735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).