1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

C18H26N6O2 — CID 70706199

IUPAC1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)n(C)n1
InChIInChI=1S/C18H26N6O2/c1-12(2)15-8-16(22(3)21-15)18(26)19-9-13-5-6-24(11-13)14-7-17(25)23(4)20-10-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,26)
InChIKeyNTWMHMKENBYLHR-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.89
Rot. Bonds5

About 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70706199) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70706199
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)n(C)n1
InChIInChI=1S/C18H26N6O2/c1-12(2)15-8-16(22(3)21-15)18(26)19-9-13-5-6-24(11-13)14-7-17(25)23(4)20-10-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,26)
InChIKeyNTWMHMKENBYLHR-UHFFFAOYSA-N
XLogP0.89
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 70706199) is 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)n(C)n1.
What is the InChIKey of 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is NTWMHMKENBYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(2)15-8-16(22(3)21-15)18(26)19-9-13-5-6-24(11-13)14-7-17(25)23(4)20-10-14/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H,19,26).
What are the key properties of 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70706199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).