N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide

C18H18FN3OS — CID 35278713

IUPACN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H18FN3OS/c1-11-8-9-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyCAACFTPFNPPEQW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 35278713) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID35278713
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H18FN3OS/c1-11-8-9-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyCAACFTPFNPPEQW-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
Pyrazole scaffold, 10b
CID 25218478
3-chloro-N-[3,5-di(tert-butyl)-1-methyl-1H-pyrazol-4-yl]-2-thiophenecarboxamide
CID 2811235
2-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919877
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide
CID 20919834
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N-[3,5-di(tert-butyl)-1-methyl-1H-pyrazol-4-yl]-2-thiophenecarboxamide
CID 2811226
N'-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thiophenecarbohydrazide
CID 6880016
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 35278713) is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is CAACFTPFNPPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-8-9-24-17(11)18(23)20-16-12(2)21-22(13(16)3)10-14-4-6-15(19)7-5-14/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 35278713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).