1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

C21H23FN4O3S — CID 31900966

IUPAC1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c1-14(2)20-19(13-25-26(20)17-7-5-16(22)6-8-17)21(27)24-12-11-15-3-9-18(10-4-15)30(23,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)(H2,23,28,29)
InChIKeyOAQYMQOCLPBFMI-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.75
Rot. Bonds7

About 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 31900966) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID31900966
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c1-14(2)20-19(13-25-26(20)17-7-5-16(22)6-8-17)21(27)24-12-11-15-3-9-18(10-4-15)30(23,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)(H2,23,28,29)
InChIKeyOAQYMQOCLPBFMI-UHFFFAOYSA-N
XLogP2.75
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
methyl 5-amino-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363545
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456579
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 6623969
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31810667
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (CID 31900966) is 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is OAQYMQOCLPBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-14(2)20-19(13-25-26(20)17-7-5-16(22)6-8-17)21(27)24-12-11-15-3-9-18(10-4-15)30(23,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,24,27)(H2,23,28,29).
What are the key properties of 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31900966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).