2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

C20H16FN3O2S — CID 53008848

IUPAC2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(-c2cccc(F)c2)c2sc(C(=O)OCCc3ccccn3)cc12
InChIInChI=1S/C20H16FN3O2S/c1-13-17-12-18(20(25)26-10-8-15-6-2-3-9-22-15)27-19(17)24(23-13)16-7-4-5-14(21)11-16/h2-7,9,11-12H,8,10H2,1H3
InChIKeyJKSKINGEQYRXEK-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.33
Rot. Bonds5

About 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 53008848) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID53008848
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(-c2cccc(F)c2)c2sc(C(=O)OCCc3ccccn3)cc12
InChIInChI=1S/C20H16FN3O2S/c1-13-17-12-18(20(25)26-10-8-15-6-2-3-9-22-15)27-19(17)24(23-13)16-7-4-5-14(21)11-16/h2-7,9,11-12H,8,10H2,1H3
InChIKeyJKSKINGEQYRXEK-UHFFFAOYSA-N
XLogP4.33
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]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

Related Compounds

Methyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 652252
ethyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 678008
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2999594
Methyl 5-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]pyridine-2-carboxylate
CID 57697968
Ethyl 4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]benzoate
CID 57698147
ethyl 4-(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamido)benzoate
CID 1034988
(2-Oxo-2-piperidin-1-ylethyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2346824
ethyl 4-(dimethylamino)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 1475671
Methyl 1,3-diphenylthieno[2,3-c]pyrazole-5-carboxylate
CID 484001
(3,3-Dimethyl-2-oxobutyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2431080
Cyanomethyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2446326
Phenacyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2587594

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 53008848) is 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is Cc1nn(-c2cccc(F)c2)c2sc(C(=O)OCCc3ccccn3)cc12.
What is the InChIKey of 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is JKSKINGEQYRXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-13-17-12-18(20(25)26-10-8-15-6-2-3-9-22-15)27-19(17)24(23-13)16-7-4-5-14(21)11-16/h2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 1-(3-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 53008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).