cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C16H17F3N4O — CID 124859937

IUPACcis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nncn1C
InChIInChI=1S/C16H17F3N4O/c1-9(14-22-20-8-23(14)2)21-15(24)12-7-11(12)10-5-3-4-6-13(10)16(17,18)19/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,24)/t9-,11-,12-/m0/s1
InChIKeyQMVMBOWFDBGIHV-DLOVCJGASA-N
MW338.33 g/mol
LogP2.81
Rot. Bonds4

About cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 124859937) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID124859937
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Namecis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nncn1C
InChIInChI=1S/C16H17F3N4O/c1-9(14-22-20-8-23(14)2)21-15(24)12-7-11(12)10-5-3-4-6-13(10)16(17,18)19/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,24)/t9-,11-,12-/m0/s1
InChIKeyQMVMBOWFDBGIHV-DLOVCJGASA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867814
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
4-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390593
trans-(1R,2R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124736631
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
(3R)-4,4,4-trifluoro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbutanamide
CID 95294333
cis-(1S,2R)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 97009567
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97185406
trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 98934794
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 124859937) is cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nncn1C.
What is the InChIKey of cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is QMVMBOWFDBGIHV-DLOVCJGASA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9(14-22-20-8-23(14)2)21-15(24)12-7-11(12)10-5-3-4-6-13(10)16(17,18)19/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,24)/t9-,11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).