(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C16H23N5O3 — CID 146100480

IUPAC(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCc1noc(CCNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)n1
InChIInChI=1S/C16H23N5O3/c1-5-12-18-13(24-20-12)6-7-17-16(22)15-11-8-9(2)23-10(3)14(11)19-21(15)4/h9-10H,5-8H2,1-4H3,(H,17,22)/t9-,10+/m1/s1
InChIKeyBMSYSWVFSVKBFZ-ZJUUUORDSA-N
MW333.39 g/mol
LogP1.36
Rot. Bonds5

About (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146100480) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146100480
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCc1noc(CCNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)n1
InChIInChI=1S/C16H23N5O3/c1-5-12-18-13(24-20-12)6-7-17-16(22)15-11-8-9(2)23-10(3)14(11)19-21(15)4/h9-10H,5-8H2,1-4H3,(H,17,22)/t9-,10+/m1/s1
InChIKeyBMSYSWVFSVKBFZ-ZJUUUORDSA-N
XLogP1.36
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-N-[(1-hydroxycyclobutyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100387
(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 154794803
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100395
(5R,7S)-2,5,7-trimethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093487
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146076388
(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093574
(5R,7S)-N-[(4-cyclopropyl-2-fluorophenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093400
(5R,7S)-N-[(5-cyano-3-pyridinyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100517
(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 167934608
(5R,7S)-N-[(2-fluoro-5-methoxyphenyl)methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093329
(5R,7S)-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093458

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146100480) is (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is CCc1noc(CCNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)n1.
What is the InChIKey of (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is BMSYSWVFSVKBFZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-5-12-18-13(24-20-12)6-7-17-16(22)15-11-8-9(2)23-10(3)14(11)19-21(15)4/h9-10H,5-8H2,1-4H3,(H,17,22)/t9-,10+/m1/s1.
What are the key properties of (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146100480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).