(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C13H16N4O2 — CID 105132806

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1c(OC)cnn1C
InChIInChI=1S/C13H16N4O2/c1-5-10-9(6-8(2)15-16-10)13(18)12-11(19-4)7-14-17(12)3/h6-7H,5H2,1-4H3
InChIKeyLHKAVZKMECZVIZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.32
Rot. Bonds4

About (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 105132806) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID105132806
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)c1c(OC)cnn1C
InChIInChI=1S/C13H16N4O2/c1-5-10-9(6-8(2)15-16-10)13(18)12-11(19-4)7-14-17(12)3/h6-7H,5H2,1-4H3
InChIKeyLHKAVZKMECZVIZ-UHFFFAOYSA-N
XLogP1.32
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
(3,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105117340
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105130889
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(2,3-dimethylimidazol-4-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114283513
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 114671270
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 105132806) is (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is CCc1nnc(C)cc1C(=O)c1c(OC)cnn1C.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is LHKAVZKMECZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-5-10-9(6-8(2)15-16-10)13(18)12-11(19-4)7-14-17(12)3/h6-7H,5H2,1-4H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 260.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 105132806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).