N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide

C16H23N5O3 — CID 46991405

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C16H23N5O3/c1-5-21-12(3)13(11(2)19-21)10-20(8-9-24-4)16(23)14-6-7-15(22)18-17-14/h6-7H,5,8-10H2,1-4H3,(H,18,22)
InChIKeyYUSZQECRSYGLEV-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.89
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 46991405) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID46991405
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C16H23N5O3/c1-5-21-12(3)13(11(2)19-21)10-20(8-9-24-4)16(23)14-6-7-15(22)18-17-14/h6-7H,5,8-10H2,1-4H3,(H,18,22)
InChIKeyYUSZQECRSYGLEV-UHFFFAOYSA-N
XLogP0.89
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Trimethyl-N~4~-morpholino-1H-pyrazole-4-carboxamide
CID 4768762
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72884537
N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220529
N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220544
1-methyl-6-oxo-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyridazine-3-carboxamide
CID 132381451
N'-[(3,5-dimethyl-1-pentyl-1H-pyrazol-4-yl)methylene]-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 9621983
N-isopropyl-1-methyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,6-dihydropyridine-3-carboxamide
CID 50968934
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-4-piperidinecarboxamide hydrochloride
CID 50973212
3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide
CID 71851873
1-[(3R)-3-(2,3,5-trimethyl-1H-pyrazol-2-ium-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 168136802
(E)-N-[(2S)-1-methoxypropan-2-yl]-3-(2,3,5-trimethyl-1H-pyrazol-2-ium-4-yl)prop-2-enamide
CID 168137014
N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 3467510

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 46991405) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide is CCn1nc(C)c(CN(CCOC)C(=O)c2ccc(=O)[nH]n2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YUSZQECRSYGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-5-21-12(3)13(11(2)19-21)10-20(8-9-24-4)16(23)14-6-7-15(22)18-17-14/h6-7H,5,8-10H2,1-4H3,(H,18,22).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46991405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).