2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide

C13H17F2N3O — CID 71979216

IUPAC2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C13H17F2N3O/c14-11(15)9-18-7-6-12(17-18)16-13(19)8-10-4-2-1-3-5-10/h4,6-7,11H,1-3,5,8-9H2,(H,16,17,19)
InChIKeyCPFQXDHKZZRQEH-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.98
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide

2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 71979216) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide
PubChem CID71979216
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C13H17F2N3O/c14-11(15)9-18-7-6-12(17-18)16-13(19)8-10-4-2-1-3-5-10/h4,6-7,11H,1-3,5,8-9H2,(H,16,17,19)
InChIKeyCPFQXDHKZZRQEH-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.98
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

3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 18152589
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
CID 91648963
N-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-2,3,4,5,6,7-hexahydroindazol-1-yl]butanamide
CID 70252191
N-(1-methylpyrazol-3-yl)cyclohexanecarboxamide
CID 16622020
(13z,17z)-N-(1-methyl-1h-pyrazol-5-yl)triaconta13,17-dienamide
CID 171665971
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71979115
(1R,2R,4S)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98344581
(1R,2S,4S)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98344583
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-piperidin-4-ylpropanamide
CID 120151666
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 132297497
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 132378667
3-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclobutene-1-carboxamide
CID 139018115

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide (CID 71979216) is 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide is O=C(CC1=CCCCC1)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is CPFQXDHKZZRQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-11(15)9-18-7-6-12(17-18)16-13(19)8-10-4-2-1-3-5-10/h4,6-7,11H,1-3,5,8-9H2,(H,16,17,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide?
2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 269.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 71979216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).