methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate

C10H10N4O2 — CID 144691470

IUPACmethyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1nnccc1C
InChIInChI=1S/C10H10N4O2/c1-6-3-4-11-13-8(6)7-5-12-14-9(7)10(15)16-2/h3-5H,1-2H3,(H,12,14)
InChIKeyFCKSXVBZKQOTKN-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.96
Rot. Bonds2

About methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate

methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate (PubChem CID 144691470) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate
PubChem CID144691470
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1nnccc1C
InChIInChI=1S/C10H10N4O2/c1-6-3-4-11-13-8(6)7-5-12-14-9(7)10(15)16-2/h3-5H,1-2H3,(H,12,14)
InChIKeyFCKSXVBZKQOTKN-UHFFFAOYSA-N
XLogP0.96
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate (CID 144691470) is methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1-c1nnccc1C.
What is the InChIKey of methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is FCKSXVBZKQOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-4-11-13-8(6)7-5-12-14-9(7)10(15)16-2/h3-5H,1-2H3,(H,12,14).
What are the key properties of methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate?
methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 218.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 144691470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).