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

C15H18F3N5O2 — CID 146111036

IUPAC(5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C15H18F3N5O2/c1-7-4-9-12(22-23(3)13(9)8(2)25-7)14(24)20-6-11-19-5-10(21-11)15(16,17)18/h5,7-8H,4,6H2,1-3H3,(H,19,21)(H,20,24)/t7-,8+/m1/s1
InChIKeyXQJNIFKAXDVKON-SFYZADRCSA-N
MW357.34 g/mol
LogP2.11
Rot. Bonds3

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

(5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111036) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-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-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111036
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name(5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C15H18F3N5O2/c1-7-4-9-12(22-23(3)13(9)8(2)25-7)14(24)20-6-11-19-5-10(21-11)15(16,17)18/h5,7-8H,4,6H2,1-3H3,(H,19,21)(H,20,24)/t7-,8+/m1/s1
InChIKeyXQJNIFKAXDVKON-SFYZADRCSA-N
XLogP2.11
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-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-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146111036) is (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-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-[[5-(trifluoromethyl)-1H-imidazol-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-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is XQJNIFKAXDVKON-SFYZADRCSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-7-4-9-12(22-23(3)13(9)8(2)25-7)14(24)20-6-11-19-5-10(21-11)15(16,17)18/h5,7-8H,4,6H2,1-3H3,(H,19,21)(H,20,24)/t7-,8+/m1/s1.
What are the key properties of (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1,5,7-trimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).