(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

C16H19N3OS — CID 97417285

IUPAC(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)[C@H]1CC=CCC1
InChIInChI=1S/C16H19N3OS/c20-16(13-5-2-1-3-6-13)17-9-11-19-10-8-14(18-19)15-7-4-12-21-15/h1-2,4,7-8,10,12-13H,3,5-6,9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyCWPFLFUEBNCAAE-ZDUSSCGKSA-N
MW301.42 g/mol
LogP3.08
Rot. Bonds5

About (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 97417285) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID97417285
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)[C@H]1CC=CCC1
InChIInChI=1S/C16H19N3OS/c20-16(13-5-2-1-3-6-13)17-9-11-19-10-8-14(18-19)15-7-4-12-21-15/h1-2,4,7-8,10,12-13H,3,5-6,9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyCWPFLFUEBNCAAE-ZDUSSCGKSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 97417285) is (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCn1ccc(-c2cccs2)n1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CWPFLFUEBNCAAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(13-5-2-1-3-6-13)17-9-11-19-10-8-14(18-19)15-7-4-12-21-15/h1-2,4,7-8,10,12-13H,3,5-6,9,11H2,(H,17,20)/t13-/m0/s1.
What are the key properties of (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 97417285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).