N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide

C16H19N3OS — CID 122265193

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C1CC=CCC1
InChIInChI=1S/C16H19N3OS/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h1-2,4-5,8-11,13-14H,3,6-7,12H2,(H,17,20)
InChIKeyFAMKOFUTNKKQKF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.01
Rot. Bonds5

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 122265193) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
PubChem CID122265193
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C1CC=CCC1
InChIInChI=1S/C16H19N3OS/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h1-2,4-5,8-11,13-14H,3,6-7,12H2,(H,17,20)
InChIKeyFAMKOFUTNKKQKF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121019316
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide (CID 122265193) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide is O=C(NCC(c1cccs1)n1cccn1)C1CC=CCC1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FAMKOFUTNKKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h1-2,4-5,8-11,13-14H,3,6-7,12H2,(H,17,20).
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122265193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).