N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

C17H23F2N3O — CID 893028

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1
InChIInChI=1S/C17H23F2N3O/c18-17(19)14-10-15(13-6-7-13)22(21-14)11-16(23)20-9-8-12-4-2-1-3-5-12/h4,10,13,17H,1-3,5-9,11H2,(H,20,23)
InChIKeyYBHBTNYDSLXDOX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 893028) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
PubChem CID893028
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1
InChIInChI=1S/C17H23F2N3O/c18-17(19)14-10-15(13-6-7-13)22(21-14)11-16(23)20-9-8-12-4-2-1-3-5-12/h4,10,13,17H,1-3,5-9,11H2,(H,20,23)
InChIKeyYBHBTNYDSLXDOX-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 843392
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-fluorobenzyl)acetamide
CID 4765842
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
N-(2-cyclohex-1-en-1-ylethyl)-3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 5004965

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (CID 893028) is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)F)cc1C1CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YBHBTNYDSLXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-17(19)14-10-15(13-6-7-13)22(21-14)11-16(23)20-9-8-12-4-2-1-3-5-12/h4,10,13,17H,1-3,5-9,11H2,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 893028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).