3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide

C13H17N5O — CID 104625743

IUPAC3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H17N5O/c1-4-12-11(5-8(2)17-18-12)13(19)16-9(3)10-6-14-15-7-10/h5-7,9H,4H2,1-3H3,(H,14,15)(H,16,19)
InChIKeyXLYXSCKUYYRMHN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds4

About 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide

3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide (PubChem CID 104625743) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
PubChem CID104625743
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H17N5O/c1-4-12-11(5-8(2)17-18-12)13(19)16-9(3)10-6-14-15-7-10/h5-7,9H,4H2,1-3H3,(H,14,15)(H,16,19)
InChIKeyXLYXSCKUYYRMHN-UHFFFAOYSA-N
XLogP1.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
6-methyl-4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218085
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 106217679
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
2-ethyl-6-hydrazinyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218268
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide (CID 104625743) is 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The InChIKey is XLYXSCKUYYRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-12-11(5-8(2)17-18-12)13(19)16-9(3)10-6-14-15-7-10/h5-7,9H,4H2,1-3H3,(H,14,15)(H,16,19).
What are the key properties of 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104625743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).