N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide

C15H19N3O4 — CID 97367793

IUPACN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)c1ccco1)OCC2
InChIInChI=1S/C15H19N3O4/c1-20-8-5-18-10-11-4-7-22-13(14(11)17-18)9-16-15(19)12-3-2-6-21-12/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyOSDOLBSYUDTPTI-CYBMUJFWSA-N
MW305.33 g/mol
LogP1.17
Rot. Bonds6

About N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide

N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide (PubChem CID 97367793) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide
PubChem CID97367793
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)c1ccco1)OCC2
InChIInChI=1S/C15H19N3O4/c1-20-8-5-18-10-11-4-7-22-13(14(11)17-18)9-16-15(19)12-3-2-6-21-12/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyOSDOLBSYUDTPTI-CYBMUJFWSA-N
XLogP1.17
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide (CID 97367793) is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide is COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccco1)OCC2.
What is the InChIKey of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide?
The InChIKey is OSDOLBSYUDTPTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-20-8-5-18-10-11-4-7-22-13(14(11)17-18)9-16-15(19)12-3-2-6-21-12/h2-3,6,10,13H,4-5,7-9H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide?
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97367793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).