3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide

C13H13F2N3O3S — CID 99775167

IUPAC3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CCCF)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H13F2N3O3S/c14-6-1-7-22(20,21)18-13(19)12-8-11(16-17-12)9-2-4-10(15)5-3-9/h2-5,8H,1,6-7H2,(H,16,17)(H,18,19)
InChIKeyDZVYGCPXITVQRS-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.63
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide (PubChem CID 99775167) has the molecular formula C13H13F2N3O3S and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide
PubChem CID99775167
Molecular FormulaC13H13F2N3O3S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC Name3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CCCF)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H13F2N3O3S/c14-6-1-7-22(20,21)18-13(19)12-8-11(16-17-12)9-2-4-10(15)5-3-9/h2-5,8H,1,6-7H2,(H,16,17)(H,18,19)
InChIKeyDZVYGCPXITVQRS-UHFFFAOYSA-N
XLogP1.63
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
3-(4-fluorophenyl)-N-[3-(methylsulfamoyl)prop-2-enyl]-1H-pyrazole-5-carboxamide
CID 171136666
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87011350
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide (CID 99775167) is 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide is O=C(NS(=O)(=O)CCCF)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DZVYGCPXITVQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3S/c14-6-1-7-22(20,21)18-13(19)12-8-11(16-17-12)9-2-4-10(15)5-3-9/h2-5,8H,1,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-fluoropropylsulfonyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99775167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).