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

C16H23N3O — CID 47004593

IUPACN-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)C1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-7-3-1-4-8-13)18-15-11-12-17-19(15)14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2,(H,18,20)
InChIKeyDSRBREKQMJQXHR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.68
Rot. Bonds3

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

N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 47004593) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID47004593
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)C1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-7-3-1-4-8-13)18-15-11-12-17-19(15)14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2,(H,18,20)
InChIKeyDSRBREKQMJQXHR-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.68
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-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (CID 47004593) is N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccnn1C1CCCCC1)C1CC=CCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DSRBREKQMJQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(13-7-3-1-4-8-13)18-15-11-12-17-19(15)14-9-5-2-6-10-14/h1,3,11-14H,2,4-10H2,(H,18,20).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47004593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).