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

C13H21N3O3 — CID 146093602

IUPAC(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2
InChIInChI=1S/C13H21N3O3/c1-8-7-10-11(9(2)19-8)15-16(5-6-18-4)12(10)13(17)14-3/h8-9H,5-7H2,1-4H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyPYNLQNPFSSVVAO-BDAKNGLRSA-N
MW267.33 g/mol
LogP0.91
Rot. Bonds4

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

(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093602) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093602
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2
InChIInChI=1S/C13H21N3O3/c1-8-7-10-11(9(2)19-8)15-16(5-6-18-4)12(10)13(17)14-3/h8-9H,5-7H2,1-4H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyPYNLQNPFSSVVAO-BDAKNGLRSA-N
XLogP0.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093602) is (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is CNC(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2.
What is the InChIKey of (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is PYNLQNPFSSVVAO-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-7-10-11(9(2)19-8)15-16(5-6-18-4)12(10)13(17)14-3/h8-9H,5-7H2,1-4H3,(H,14,17)/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).