trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide

C17H18F3N3O — CID 95620243

IUPACtrans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H18F3N3O/c1-9-10(2)22-23(3)15(9)21-16(24)14-8-13(14)11-5-4-6-12(7-11)17(18,19)20/h4-7,13-14H,8H2,1-3H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyGDDYUTOLVOIVIR-KGLIPLIRSA-N
MW337.35 g/mol
LogP3.80
Rot. Bonds3

About trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 95620243) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID95620243
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Nametrans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H18F3N3O/c1-9-10(2)22-23(3)15(9)21-16(24)14-8-13(14)11-5-4-6-12(7-11)17(18,19)20/h4-7,13-14H,8H2,1-3H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyGDDYUTOLVOIVIR-KGLIPLIRSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102558540
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119421188
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
trans-(1R,2R)-2-(3-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94816452
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 95620243) is trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide is Cc1nn(C)c(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is GDDYUTOLVOIVIR-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-9-10(2)22-23(3)15(9)21-16(24)14-8-13(14)11-5-4-6-12(7-11)17(18,19)20/h4-7,13-14H,8H2,1-3H3,(H,21,24)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[3-(trifluoromethyl)phenyl]-N-(2,4,5-trimethylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95620243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).