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

C15H23N3O2 — CID 154794803

IUPAC(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCC1CC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1
InChIInChI=1S/C15H23N3O2/c1-8-5-11(6-8)16-15(19)14-12-7-9(2)20-10(3)13(12)17-18(14)4/h8-11H,5-7H2,1-4H3,(H,16,19)/t8?,9-,10+,11?/m1/s1
InChIKeyIYDXXXQCNPJZPW-WIFZPCQCSA-N
MW277.37 g/mol
LogP1.97
Rot. Bonds2

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

(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 154794803) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID154794803
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCC1CC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1
InChIInChI=1S/C15H23N3O2/c1-8-5-11(6-8)16-15(19)14-12-7-9(2)20-10(3)13(12)17-18(14)4/h8-11H,5-7H2,1-4H3,(H,16,19)/t8?,9-,10+,11?/m1/s1
InChIKeyIYDXXXQCNPJZPW-WIFZPCQCSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 154794803) is (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is CC1CC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1.
What is the InChIKey of (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is IYDXXXQCNPJZPW-WIFZPCQCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-8-5-11(6-8)16-15(19)14-12-7-9(2)20-10(3)13(12)17-18(14)4/h8-11H,5-7H2,1-4H3,(H,16,19)/t8?,9-,10+,11?/m1/s1.
What are the key properties of (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2,5,7-trimethyl-N-(3-methylcyclobutyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 154794803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).