trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C16H16F3N3O2 — CID 99774578

IUPACtrans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccnn1C
InChIInChI=1S/C16H16F3N3O2/c1-21(14-7-8-20-22(14)2)15(23)13-9-12(13)10-3-5-11(6-4-10)24-16(17,18)19/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyZRASGQDJZOHKGT-QWHCGFSZSA-N
MW339.32 g/mol
LogP3.09
Rot. Bonds4

About trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 99774578) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID99774578
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Nametrans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccnn1C
InChIInChI=1S/C16H16F3N3O2/c1-21(14-7-8-20-22(14)2)15(23)13-9-12(13)10-3-5-11(6-4-10)24-16(17,18)19/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1
InChIKeyZRASGQDJZOHKGT-QWHCGFSZSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
N-(4-aminocyclohexyl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 86813882
4-[(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperazin-2-one
CID 100663278
N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111460702
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
(3,5-dimethylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 114975308
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95302224
1-methyl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 79509586

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 99774578) is trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1)c1ccnn1C.
What is the InChIKey of trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZRASGQDJZOHKGT-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-21(14-7-8-20-22(14)2)15(23)13-9-12(13)10-3-5-11(6-4-10)24-16(17,18)19/h3-8,12-13H,9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-N-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99774578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).