(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

C16H24N6O2 — CID 146110950

IUPAC(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
SMILESCCn1nc(C)c(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1
InChIInChI=1S/C16H24N6O2/c1-6-22-18-10(3)13(19-22)8-17-16(23)14-12-7-9(2)24-11(4)15(12)21(5)20-14/h9,11H,6-8H2,1-5H3,(H,17,23)/t9-,11+/m0/s1
InChIKeyQVRCPUHIQIOTJU-GXSJLCMTSA-N
MW332.41 g/mol
LogP1.29
Rot. Bonds4

About (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

(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 (PubChem CID 146110950) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146110950
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(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
SMILESCCn1nc(C)c(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1
InChIInChI=1S/C16H24N6O2/c1-6-22-18-10(3)13(19-22)8-17-16(23)14-12-7-9(2)24-11(4)15(12)21(5)20-14/h9,11H,6-8H2,1-5H3,(H,17,23)/t9-,11+/m0/s1
InChIKeyQVRCPUHIQIOTJU-GXSJLCMTSA-N
XLogP1.29
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

1-(2-Methoxyethyl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428037
N-[(1,3-Dimethyl-1H-pyrazol-5-YL)methyl]-1-(2-methoxyethyl)-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428047
1-Methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428308
N-(2-methoxyethyl)-N,1-dimethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
CID 132438500
(5R,7S)-N,5,7-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145910802
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 145911008
(5R,7S)-5,7-dimethyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911018
(5R,7S)-N-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145911100
[2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076387
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076396
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076405
(5R,7S)-N-(2,2-difluoro-3-hydroxypropyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146076948

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCn1nc(C)c(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)n1.
What is the InChIKey of (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?
The InChIKey is QVRCPUHIQIOTJU-GXSJLCMTSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-6-22-18-10(3)13(19-22)8-17-16(23)14-12-7-9(2)24-11(4)15(12)21(5)20-14/h9,11H,6-8H2,1-5H3,(H,17,23)/t9-,11+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 332.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146110950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).