(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C16H18F3N5O2 — CID 146110945

IUPAC(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nccc(C(F)(F)F)n3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H18F3N5O2/c1-8-6-10-13(23-24(3)14(10)9(2)26-8)15(25)21-7-12-20-5-4-11(22-12)16(17,18)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,25)/t8-,9+/m1/s1
InChIKeyFRNCQMHVIIAEQN-BDAKNGLRSA-N
MW369.35 g/mol
LogP2.18
Rot. Bonds3

About (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146110945) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146110945
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nccc(C(F)(F)F)n3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H18F3N5O2/c1-8-6-10-13(23-24(3)14(10)9(2)26-8)15(25)21-7-12-20-5-4-11(22-12)16(17,18)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,25)/t8-,9+/m1/s1
InChIKeyFRNCQMHVIIAEQN-BDAKNGLRSA-N
XLogP2.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146110945) is (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCc3nccc(C(F)(F)F)n3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is FRNCQMHVIIAEQN-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-8-6-10-13(23-24(3)14(10)9(2)26-8)15(25)21-7-12-20-5-4-11(22-12)16(17,18)19/h4-5,8-9H,6-7H2,1-3H3,(H,21,25)/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1,5,7-trimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146110945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).