5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide

C17H15ClFN3OS — CID 46104521

IUPAC5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccccc2F)cc1-c1ccc(Cl)s1
InChIInChI=1S/C17H15ClFN3OS/c1-2-22-14(15-7-8-16(18)24-15)9-13(21-22)17(23)20-10-11-5-3-4-6-12(11)19/h3-9H,2,10H2,1H3,(H,20,23)
InChIKeyYBQQEPMSIWMCTP-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.35
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 46104521) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID46104521
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccccc2F)cc1-c1ccc(Cl)s1
InChIInChI=1S/C17H15ClFN3OS/c1-2-22-14(15-7-8-16(18)24-15)9-13(21-22)17(23)20-10-11-5-3-4-6-12(11)19/h3-9H,2,10H2,1H3,(H,20,23)
InChIKeyYBQQEPMSIWMCTP-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 46104506
5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104803
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 110336668
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
1-tert-butyl-N-[(2-fluorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 46486795
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 24608482

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide (CID 46104521) is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccccc2F)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is YBQQEPMSIWMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c1-2-22-14(15-7-8-16(18)24-15)9-13(21-22)17(23)20-10-11-5-3-4-6-12(11)19/h3-9H,2,10H2,1H3,(H,20,23).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).