N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H14F3N3O — CID 19520861

IUPACN-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-5-9(7-1-2-7)18(17-10)6-11(19)16-8-3-4-8/h5,7-8H,1-4,6H2,(H,16,19)
InChIKeyUIEFVSGMBDIFEF-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.06
Rot. Bonds4

About N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19520861) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19520861
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-5-9(7-1-2-7)18(17-10)6-11(19)16-8-3-4-8/h5,7-8H,1-4,6H2,(H,16,19)
InChIKeyUIEFVSGMBDIFEF-UHFFFAOYSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 40622035
methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 19520968
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 843513
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 843517
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19526362
ethyl (E)-3-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]but-2-enoate
CID 19526296
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19520861) is N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UIEFVSGMBDIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)10-5-9(7-1-2-7)18(17-10)6-11(19)16-8-3-4-8/h5,7-8H,1-4,6H2,(H,16,19).
What are the key properties of N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 273.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19520861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).