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

C15H19N5O3 — CID 131652372

IUPACN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1ccnnc1)OCC2
InChIInChI=1S/C15H19N5O3/c1-22-7-5-20-10-12-3-6-23-13(14(12)19-20)9-16-15(21)11-2-4-17-18-8-11/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,16,21)
InChIKeyCHFJFKFAKLDUHL-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.36
Rot. Bonds6

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

N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131652372) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide
PubChem CID131652372
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide
SMILESCOCCn1cc2c(n1)C(CNC(=O)c1ccnnc1)OCC2
InChIInChI=1S/C15H19N5O3/c1-22-7-5-20-10-12-3-6-23-13(14(12)19-20)9-16-15(21)11-2-4-17-18-8-11/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,16,21)
InChIKeyCHFJFKFAKLDUHL-UHFFFAOYSA-N
XLogP0.36
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide (CID 131652372) is N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide is COCCn1cc2c(n1)C(CNC(=O)c1ccnnc1)OCC2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is CHFJFKFAKLDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-22-7-5-20-10-12-3-6-23-13(14(12)19-20)9-16-15(21)11-2-4-17-18-8-11/h2,4,8,10,13H,3,5-7,9H2,1H3,(H,16,21).
What are the key properties of N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide?
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131652372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).