trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

C16H17F3N4O — CID 138008737

IUPACtrans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C16H17F3N4O/c1-22(8-11-9-23(2)21-14(11)16(17,18)19)15(24)13-7-12(13)10-3-5-20-6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyCBSNSXUQFKFSSK-QWHCGFSZSA-N
MW338.33 g/mol
LogP2.60
Rot. Bonds4

About trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 138008737) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID138008737
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Nametrans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C16H17F3N4O/c1-22(8-11-9-23(2)21-14(11)16(17,18)19)15(24)13-7-12(13)10-3-5-20-6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyCBSNSXUQFKFSSK-QWHCGFSZSA-N
XLogP2.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.60
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-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide (CID 138008737) is trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1C[C@H]1c1ccncc1.
What is the InChIKey of trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is CBSNSXUQFKFSSK-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-22(8-11-9-23(2)21-14(11)16(17,18)19)15(24)13-7-12(13)10-3-5-20-6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.60, 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-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 138008737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).