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

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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).