N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide

C15H24N4O3 — CID 97367833

IUPACN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)N1CCCC1)OCC2
InChIInChI=1S/C15H24N4O3/c1-21-9-7-19-11-12-4-8-22-13(14(12)17-19)10-16-15(20)18-5-2-3-6-18/h11,13H,2-10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyHTLDTINPSMXZHD-CYBMUJFWSA-N
MW308.38 g/mol
LogP0.95
Rot. Bonds5

About N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide

N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 97367833) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID97367833
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)N1CCCC1)OCC2
InChIInChI=1S/C15H24N4O3/c1-21-9-7-19-11-12-4-8-22-13(14(12)17-19)10-16-15(20)18-5-2-3-6-18/h11,13H,2-10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyHTLDTINPSMXZHD-CYBMUJFWSA-N
XLogP0.95
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide (CID 97367833) is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide is COCCn1cc2c(n1)[C@@H](CNC(=O)N1CCCC1)OCC2.
What is the InChIKey of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is HTLDTINPSMXZHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-9-7-19-11-12-4-8-22-13(14(12)17-19)10-16-15(20)18-5-2-3-6-18/h11,13H,2-10H2,1H3,(H,16,20)/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]pyrrolidine-1-carboxamide?
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97367833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).