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

C18H26N6O2 — CID 45221264

IUPAC5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1C
InChIInChI=1S/C18H26N6O2/c1-4-6-24-13(2)16(11-21-24)18(26)19-9-14-5-7-23(12-14)15-8-17(25)22(3)20-10-15/h8,10-11,14H,4-7,9,12H2,1-3H3,(H,19,26)
InChIKeyHKHYBKWRJFGMFU-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.95
Rot. Bonds6

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

5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 45221264) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID45221264
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1C
InChIInChI=1S/C18H26N6O2/c1-4-6-24-13(2)16(11-21-24)18(26)19-9-14-5-7-23(12-14)15-8-17(25)22(3)20-10-15/h8,10-11,14H,4-7,9,12H2,1-3H3,(H,19,26)
InChIKeyHKHYBKWRJFGMFU-UHFFFAOYSA-N
XLogP0.95
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70770761
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
2-methoxy-6-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70780609
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 70739773
4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 50950008
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 45236169
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 45221264) is 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1C.
What is the InChIKey of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is HKHYBKWRJFGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-6-24-13(2)16(11-21-24)18(26)19-9-14-5-7-23(12-14)15-8-17(25)22(3)20-10-15/h8,10-11,14H,4-7,9,12H2,1-3H3,(H,19,26).
What are the key properties of 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 45221264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).