N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

C12H17N3O — CID 47020062

IUPACN-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCn1nccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C12H17N3O/c1-2-15-11(8-9-13-15)14-12(16)10-6-4-3-5-7-10/h3-4,8-10H,2,5-7H2,1H3,(H,14,16)
InChIKeyHRDUKYXZLSZDBD-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.20
Rot. Bonds3

About N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 47020062) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID47020062
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCn1nccc1NC(=O)C1CC=CCC1
InChIInChI=1S/C12H17N3O/c1-2-15-11(8-9-13-15)14-12(16)10-6-4-3-5-7-10/h3-4,8-10H,2,5-7H2,1H3,(H,14,16)
InChIKeyHRDUKYXZLSZDBD-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.20
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-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (CID 47020062) is N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is CCn1nccc1NC(=O)C1CC=CCC1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is HRDUKYXZLSZDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15-11(8-9-13-15)14-12(16)10-6-4-3-5-7-10/h3-4,8-10H,2,5-7H2,1H3,(H,14,16).
What are the key properties of N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47020062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).