1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide

C13H17N5O — CID 134178056

IUPAC1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide
SMILESC#CCCN1NCC(C(=O)Nc2ccnnc2)C1C
InChIInChI=1S/C13H17N5O/c1-3-4-7-18-10(2)12(9-16-18)13(19)17-11-5-6-14-15-8-11/h1,5-6,8,10,12,16H,4,7,9H2,2H3,(H,14,17,19)
InChIKeyODGBSGPSMOFMMR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.26
Rot. Bonds4

About 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide

1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide (PubChem CID 134178056) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide.

Molecular Properties

Compound Name1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide
PubChem CID134178056
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide
SMILESC#CCCN1NCC(C(=O)Nc2ccnnc2)C1C
InChIInChI=1S/C13H17N5O/c1-3-4-7-18-10(2)12(9-16-18)13(19)17-11-5-6-14-15-8-11/h1,5-6,8,10,12,16H,4,7,9H2,2H3,(H,14,17,19)
InChIKeyODGBSGPSMOFMMR-UHFFFAOYSA-N
XLogP0.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
CID 151047488
2-methyl-N-pyridazin-4-ylpropanamide
CID 59729258
N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012607
3-methyl-N-pyridazin-4-ylbutanamide
CID 130219537
N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide
CID 137380211
3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 138504587
1-(5-Oxo-1-propan-2-ylpyrrolidin-3-yl)-3-pyridazin-4-ylurea
CID 175838362
4-Ethynyl-1-pyridazin-4-ylpyrrolidin-2-one
CID 168502930
4-(Azidomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168658496
4-(Aminomethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168661332
5-Oxo-1-pyridazin-4-ylpyrrolidine-3-carboxamide
CID 168698480
4-Amino-1-pyridazin-4-ylpyrrolidin-2-one
CID 168701226

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide?
The IUPAC name of 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide (CID 134178056) is 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide.
What is the SMILES notation for 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide?
The canonical SMILES for 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide is C#CCCN1NCC(C(=O)Nc2ccnnc2)C1C.
What is the InChIKey of 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide?
The InChIKey is ODGBSGPSMOFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-4-7-18-10(2)12(9-16-18)13(19)17-11-5-6-14-15-8-11/h1,5-6,8,10,12,16H,4,7,9H2,2H3,(H,14,17,19).
What are the key properties of 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide?
1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-5-methyl-N-pyridazin-4-ylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134178056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).