3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide

C14H15FN4O3S — CID 171136666

IUPAC3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)C=CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H15FN4O3S/c1-16-23(21,22)8-2-7-17-14(20)13-9-12(18-19-13)10-3-5-11(15)6-4-10/h2-6,8-9,16H,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyUMXFHJGGNHEFMC-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.01
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide (PubChem CID 171136666) has the molecular formula C14H15FN4O3S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide
PubChem CID171136666
Molecular FormulaC14H15FN4O3S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)C=CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H15FN4O3S/c1-16-23(21,22)8-2-7-17-14(20)13-9-12(18-19-13)10-3-5-11(15)6-4-10/h2-6,8-9,16H,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyUMXFHJGGNHEFMC-UHFFFAOYSA-N
XLogP1.01
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide
CID 99775167
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
3-(2,4-dimethylphenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 139018672
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
3-(4-fluorophenyl)-N-[3-(2-fluorophenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90547769
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680
3-(4-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide (CID 171136666) is 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide is CNS(=O)(=O)C=CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UMXFHJGGNHEFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S/c1-16-23(21,22)8-2-7-17-14(20)13-9-12(18-19-13)10-3-5-11(15)6-4-10/h2-6,8-9,16H,7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171136666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).