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

C19H22N6O2 — CID 146113494

IUPAC(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nncn3-c3ccccc3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H22N6O2/c1-12-9-15-17(23-24(3)18(15)13(2)27-12)19(26)20-10-16-22-21-11-25(16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,26)/t12-,13+/m1/s1
InChIKeyHWKOXTRSVOPWHG-OLZOCXBDSA-N
MW366.43 g/mol
LogP1.95
Rot. Bonds4

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

(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146113494) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-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-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146113494
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NCc3nncn3-c3ccccc3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H22N6O2/c1-12-9-15-17(23-24(3)18(15)13(2)27-12)19(26)20-10-16-22-21-11-25(16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,26)/t12-,13+/m1/s1
InChIKeyHWKOXTRSVOPWHG-OLZOCXBDSA-N
XLogP1.95
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(5R,7S)-1,5,7-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146113712
(5S,7R)-N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110950
(5R,7S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110793
(5S,7R)-1,5,7-trimethyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101233
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103
(2R,3R)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 129399614
(5R,7S)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110932
(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146077013
(5R,7S)-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146110823
(2S,4S)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 120622970
(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101185
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-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-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146113494) is (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-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-phenyl-1,2,4-triazol-3-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-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NCc3nncn3-c3ccccc3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is HWKOXTRSVOPWHG-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-9-15-17(23-24(3)18(15)13(2)27-12)19(26)20-10-16-22-21-11-25(16)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,26)/t12-,13+/m1/s1.
What are the key properties of (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1,5,7-trimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146113494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).