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

C19H20F3N3O — CID 121139270

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-3-1-2-14(10-15)18(26)23-8-9-25-17(13-6-7-13)11-16(24-25)12-4-5-12/h1-3,10-13H,4-9H2,(H,23,26)
InChIKeyISOVQBNBGKWPTO-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.09
Rot. Bonds6

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

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 121139270) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID121139270
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-3-1-2-14(10-15)18(26)23-8-9-25-17(13-6-7-13)11-16(24-25)12-4-5-12/h1-3,10-13H,4-9H2,(H,23,26)
InChIKeyISOVQBNBGKWPTO-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 121139344
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 71807743
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121139229
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 19282633
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 121139648
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 121139270) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ISOVQBNBGKWPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-3-1-2-14(10-15)18(26)23-8-9-25-17(13-6-7-13)11-16(24-25)12-4-5-12/h1-3,10-13H,4-9H2,(H,23,26).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 121139270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).