N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine

C11H17N3 — CID 130496240

IUPACN-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NC2C=CCCC2)n1
InChIInChI=1S/C11H17N3/c1-2-14-9-8-11(13-14)12-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyMHBWUMSVESNGOU-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.42
Rot. Bonds3

About N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine

N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine (PubChem CID 130496240) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine
PubChem CID130496240
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NC2C=CCCC2)n1
InChIInChI=1S/C11H17N3/c1-2-14-9-8-11(13-14)12-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyMHBWUMSVESNGOU-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.42
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 N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine (CID 130496240) is N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine is CCn1ccc(NC2C=CCCC2)n1.
What is the InChIKey of N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine?
The InChIKey is MHBWUMSVESNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-9-8-11(13-14)12-10-6-4-3-5-7-10/h4,6,8-10H,2-3,5,7H2,1H3,(H,12,13).
What are the key properties of N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine?
N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine is sourced from PubChem (CID 130496240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).