N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

C19H20F3N3O2 — CID 121139344

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-15-7-5-14(6-8-15)18(26)23-9-10-25-17(13-3-4-13)11-16(24-25)12-1-2-12/h5-8,11-13H,1-4,9-10H2,(H,23,26)
InChIKeyDJURMEHLLYYGAF-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 121139344) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID121139344
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-15-7-5-14(6-8-15)18(26)23-9-10-25-17(13-3-4-13)11-16(24-25)12-1-2-12/h5-8,11-13H,1-4,9-10H2,(H,23,26)
InChIKeyDJURMEHLLYYGAF-UHFFFAOYSA-N
XLogP3.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139439
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
3-[[4-[[3-cyclohexyl-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 10369245
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
methyl 3-[[4-[[5-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoate
CID 67489661
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744
methyl 4-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]benzoate
CID 121139441
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 71807743
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 121139648
ethyl 3-[[4-[[5-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoate
CID 10370142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 121139344) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DJURMEHLLYYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)27-15-7-5-14(6-8-15)18(26)23-9-10-25-17(13-3-4-13)11-16(24-25)12-1-2-12/h5-8,11-13H,1-4,9-10H2,(H,23,26).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121139344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).