5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide

C20H16ClN5OS — CID 46889217

IUPAC5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26)
InChIKeyIDABFBUJFMQBID-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.67
Rot. Bonds5

About 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide

5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 46889217) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
PubChem CID46889217
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC Name5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26)
InChIKeyIDABFBUJFMQBID-UHFFFAOYSA-N
XLogP4.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466
(E)-3-(5-chlorothiophen-2-yl)-N'-(1-(pyridin-4-yl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5392692
3-(5-Chlorothiophen-2-YL)-N'-[(Z)-(pyridin-3-YL)methylidene]-1H-pyrazole-5-carbohydrazide
CID 5392989
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-ethyl-5-[4-[(2S)-piperidin-2-yl]-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889200
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
CID 56661620
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127038828

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide (CID 46889217) is 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is IDABFBUJFMQBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).