3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide

C21H22N4O3S — CID 41078982

IUPAC3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-14(15-9-11-18(12-10-15)29(22,27)28)23-21(26)20-13-19(16-7-8-16)24-25(20)17-5-3-2-4-6-17/h2-6,9-14,16H,7-8H2,1H3,(H,23,26)(H2,22,27,28)/t14-/m1/s1
InChIKeyFEJSTYWINNIOMN-CQSZACIVSA-N
MW410.50 g/mol
LogP2.89
Rot. Bonds6

About 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide

3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide (PubChem CID 41078982) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
PubChem CID41078982
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H22N4O3S/c1-14(15-9-11-18(12-10-15)29(22,27)28)23-21(26)20-13-19(16-7-8-16)24-25(20)17-5-3-2-4-6-17/h2-6,9-14,16H,7-8H2,1H3,(H,23,26)(H2,22,27,28)/t14-/m1/s1
InChIKeyFEJSTYWINNIOMN-CQSZACIVSA-N
XLogP2.89
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 42916203
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
CID 18270656
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide (CID 41078982) is 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is FEJSTYWINNIOMN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14(15-9-11-18(12-10-15)29(22,27)28)23-21(26)20-13-19(16-7-8-16)24-25(20)17-5-3-2-4-6-17/h2-6,9-14,16H,7-8H2,1H3,(H,23,26)(H2,22,27,28)/t14-/m1/s1.
What are the key properties of 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 41078982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).