1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide

C17H14FN3OS — CID 10830058

IUPAC1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22)
InChIKeyMIYYYUGRWMOCRM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 10830058) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID10830058
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22)
InChIKeyMIYYYUGRWMOCRM-UHFFFAOYSA-N
XLogP3.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 175821975
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334620
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 23174225
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
ethyl 1-(4-fluorophenyl)-5-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxylate
CID 19886165
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
ethyl (E)-3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871132
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide (CID 10830058) is 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide is CSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is MIYYYUGRWMOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22).
What are the key properties of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10830058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).