(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C17H20F3N5O2 — CID 146111479

IUPAC(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H20F3N5O2/c1-9-8-11-14(10(2)27-9)23-24-15(11)16(26)25(3)7-5-13-21-6-4-12(22-13)17(18,19)20/h4,6,9-10H,5,7-8H2,1-3H3,(H,23,24)/t9-,10+/m1/s1
InChIKeyLNUUJJGYRKAFGS-ZJUUUORDSA-N
MW383.37 g/mol
LogP2.56
Rot. Bonds4

About (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111479) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111479
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H20F3N5O2/c1-9-8-11-14(10(2)27-9)23-24-15(11)16(26)25(3)7-5-13-21-6-4-12(22-13)17(18,19)20/h4,6,9-10H,5,7-8H2,1-3H3,(H,23,24)/t9-,10+/m1/s1
InChIKeyLNUUJJGYRKAFGS-ZJUUUORDSA-N
XLogP2.56
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146111479) is (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)N(C)CCc3nccc(C(F)(F)F)n3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is LNUUJJGYRKAFGS-ZJUUUORDSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-9-8-11-14(10(2)27-9)23-24-15(11)16(26)25(3)7-5-13-21-6-4-12(22-13)17(18,19)20/h4,6,9-10H,5,7-8H2,1-3H3,(H,23,24)/t9-,10+/m1/s1.
What are the key properties of (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N,5,7-trimethyl-N-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).