(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C16H27N3O4 — CID 146093618

IUPAC(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCC(C)(C)O)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C16H27N3O4/c1-10-8-12-13(11(2)23-10)18-19(6-7-22-5)14(12)15(20)17-9-16(3,4)21/h10-11,21H,6-9H2,1-5H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyTVHGWRUZPUZTCL-WDEREUQCSA-N
MW325.41 g/mol
LogP1.05
Rot. Bonds6

About (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093618) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093618
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCC(C)(C)O)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C16H27N3O4/c1-10-8-12-13(11(2)23-10)18-19(6-7-22-5)14(12)15(20)17-9-16(3,4)21/h10-11,21H,6-9H2,1-5H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyTVHGWRUZPUZTCL-WDEREUQCSA-N
XLogP1.05
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093602
(5S,7R)-N-[(3-hydroxycyclobutyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093633
(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093692
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093779
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093834
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146076417
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093679
4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
CID 146093697
[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
CID 146093600
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
(5S,7R)-2-ethyl-5,7-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100238
(5R,7S)-N-[[3-fluoro-4-(methoxymethyl)phenyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093381

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093618) is (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCCn1nc2c(c1C(=O)NCC(C)(C)O)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is TVHGWRUZPUZTCL-WDEREUQCSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-10-8-12-13(11(2)23-10)18-19(6-7-22-5)14(12)15(20)17-9-16(3,4)21/h10-11,21H,6-9H2,1-5H3,(H,17,20)/t10-,11+/m0/s1.
What are the key properties of (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).