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

C14H16F3N5O2 — CID 146111439

IUPAC(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H16F3N5O2/c1-6-3-8-11(7(2)24-6)21-22-12(8)13(23)19-5-10-18-4-9(20-10)14(15,16)17/h4,6-7H,3,5H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)/t6-,7+/m1/s1
InChIKeyAVRNULQLCVMRPW-RQJHMYQMSA-N
MW343.31 g/mol
LogP2.10
Rot. Bonds3

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

(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111439) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111439
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C14H16F3N5O2/c1-6-3-8-11(7(2)24-6)21-22-12(8)13(23)19-5-10-18-4-9(20-10)14(15,16)17/h4,6-7H,3,5H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)/t6-,7+/m1/s1
InChIKeyAVRNULQLCVMRPW-RQJHMYQMSA-N
XLogP2.10
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146111439) is (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCc3ncc(C(F)(F)F)[nH]3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is AVRNULQLCVMRPW-RQJHMYQMSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-6-3-8-11(7(2)24-6)21-22-12(8)13(23)19-5-10-18-4-9(20-10)14(15,16)17/h4,6-7H,3,5H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)/t6-,7+/m1/s1.
What are the key properties of (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5,7-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).