ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate

C15H13FN4O2S — CID 66679827

IUPACethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cn2)nc1-c1cnc(C)s1
InChIInChI=1S/C15H13FN4O2S/c1-3-22-15(21)11-8-20(13-5-4-10(16)6-18-13)19-14(11)12-7-17-9(2)23-12/h4-8H,3H2,1-2H3
InChIKeyDJDWTVBVMWYOAU-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.02
Rot. Bonds4

About ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate

ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate (PubChem CID 66679827) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate
PubChem CID66679827
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Nameethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cn2)nc1-c1cnc(C)s1
InChIInChI=1S/C15H13FN4O2S/c1-3-22-15(21)11-8-20(13-5-4-10(16)6-18-13)19-14(11)12-7-17-9(2)23-12/h4-8H,3H2,1-2H3
InChIKeyDJDWTVBVMWYOAU-UHFFFAOYSA-N
XLogP3.02
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 134138693
ethyl 1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1472667
ethyl 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1472845
ethyl 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1482619
ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1486735
ethyl 1-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 11841842
Ethyl 1-(4-phenylthiazol-2-yl)-5-(1,1,2,2-tetra-fluoroethyl)-1h-pyrazole-4-carboxylate
CID 17037055
Ethyl 1-(benzothiazol-2-yl)-5-(1,1,2,2-tetra-fluoroethyl)-1h-pyrazole-4-carboxylate
CID 17037058
ethyl 1-[4-(3-pyridinyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 1472903
ethyl 1-(4-fluorophenyl)-3-[2-(N-methylanilino)-4-phenyl-1,3-thiazol-5-yl]pyrazole-4-carboxylate
CID 73347701
ethyl 3-[2-(N-ethylanilino)-4-phenyl-1,3-thiazol-5-yl]-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 73349222
1,3-Thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
CID 75510327

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate (CID 66679827) is ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cn2)nc1-c1cnc(C)s1.
What is the InChIKey of ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate?
The InChIKey is DJDWTVBVMWYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-3-22-15(21)11-8-20(13-5-4-10(16)6-18-13)19-14(11)12-7-17-9(2)23-12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate?
ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoro-2-pyridinyl)-3-(2-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 66679827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).