N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide

C16H22N6O2 — CID 45172141

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCn3cccn3)C2)cc1=O
InChIInChI=1S/C16H22N6O2/c1-20-16(24)9-14(11-19-20)21-7-3-13(12-21)10-17-15(23)4-8-22-6-2-5-18-22/h2,5-6,9,11,13H,3-4,7-8,10,12H2,1H3,(H,17,23)
InChIKeyIPSZUHHGESNAQG-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.01
Rot. Bonds6

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 45172141) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide
PubChem CID45172141
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCn3cccn3)C2)cc1=O
InChIInChI=1S/C16H22N6O2/c1-20-16(24)9-14(11-19-20)21-7-3-13(12-21)10-17-15(23)4-8-22-6-2-5-18-22/h2,5-6,9,11,13H,3-4,7-8,10,12H2,1H3,(H,17,23)
InChIKeyIPSZUHHGESNAQG-UHFFFAOYSA-N
XLogP0.01
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide (CID 45172141) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide is Cn1ncc(N2CCC(CNC(=O)CCn3cccn3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is IPSZUHHGESNAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-16(24)9-14(11-19-20)21-7-3-13(12-21)10-17-15(23)4-8-22-6-2-5-18-22/h2,5-6,9,11,13H,3-4,7-8,10,12H2,1H3,(H,17,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 330.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 45172141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).