methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate

C14H16N4O2S — CID 118609435

IUPACmethyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2=CCCN(c3nccs3)C2)n(C)n1
InChIInChI=1S/C14H16N4O2S/c1-17-12(8-11(16-17)13(19)20-2)10-4-3-6-18(9-10)14-15-5-7-21-14/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyXXODAOLOFAZDCH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.96
Rot. Bonds3

About methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate

methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate (PubChem CID 118609435) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate
PubChem CID118609435
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Namemethyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2=CCCN(c3nccs3)C2)n(C)n1
InChIInChI=1S/C14H16N4O2S/c1-17-12(8-11(16-17)13(19)20-2)10-4-3-6-18(9-10)14-15-5-7-21-14/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyXXODAOLOFAZDCH-UHFFFAOYSA-N
XLogP1.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate (CID 118609435) is methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate is COC(=O)c1cc(C2=CCCN(c3nccs3)C2)n(C)n1.
What is the InChIKey of methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate?
The InChIKey is XXODAOLOFAZDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17-12(8-11(16-17)13(19)20-2)10-4-3-6-18(9-10)14-15-5-7-21-14/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate?
methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 118609435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).