5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide

C18H18FN3OS — CID 42878929

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(F)c2)cc1-c1cc(C)sc1C
InChIInChI=1S/C18H18FN3OS/c1-4-22-17(15-8-11(2)24-12(15)3)10-16(21-22)18(23)20-14-7-5-6-13(19)9-14/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyCVCYAYJEWYDHQU-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.64
Rot. Bonds4

About 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide

5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 42878929) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID42878929
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(F)c2)cc1-c1cc(C)sc1C
InChIInChI=1S/C18H18FN3OS/c1-4-22-17(15-8-11(2)24-12(15)3)10-16(21-22)18(23)20-14-7-5-6-13(19)9-14/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyCVCYAYJEWYDHQU-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 122171449
N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 42879037
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109353352
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide (CID 42878929) is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2cccc(F)c2)cc1-c1cc(C)sc1C.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is CVCYAYJEWYDHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-4-22-17(15-8-11(2)24-12(15)3)10-16(21-22)18(23)20-14-7-5-6-13(19)9-14/h5-10H,4H2,1-3H3,(H,20,23).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide?
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42878929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).