methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate

C15H13N3O2 — CID 66989245

IUPACmethyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cnc3ccccc3c2)n(C)n1
InChIInChI=1S/C15H13N3O2/c1-18-14(8-13(17-18)15(19)20-2)11-7-10-5-3-4-6-12(10)16-9-11/h3-9H,1-2H3
InChIKeyIISVNCOQFVVPHM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.42
Rot. Bonds2

About methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate

methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate (PubChem CID 66989245) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
PubChem CID66989245
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cnc3ccccc3c2)n(C)n1
InChIInChI=1S/C15H13N3O2/c1-18-14(8-13(17-18)15(19)20-2)11-7-10-5-3-4-6-12(10)16-9-11/h3-9H,1-2H3
InChIKeyIISVNCOQFVVPHM-UHFFFAOYSA-N
XLogP2.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,3-difluoroazetidin-1-yl)-1-(1-methyl-5-quinolin-3-ylpyrazol-3-yl)butan-1-one
CID 58505826
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
CID 145260221
methyl 3-tert-butyl-2-methoxy-6-methyl-5-quinolin-3-ylbenzoate
CID 87623466
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl N-quinolin-3-ylcarbamate
CID 19697860
1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
CID 110447723
methyl 5-(6-ethyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118192267
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
methyl 5-(6-ethoxy-4-methoxy-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118130839

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate (CID 66989245) is methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate is COC(=O)c1cc(-c2cnc3ccccc3c2)n(C)n1.
What is the InChIKey of methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate?
The InChIKey is IISVNCOQFVVPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-14(8-13(17-18)15(19)20-2)11-7-10-5-3-4-6-12(10)16-9-11/h3-9H,1-2H3.
What are the key properties of methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate?
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate is sourced from PubChem (CID 66989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).