N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide

C22H25N5O3S — CID 55668651

IUPACN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H25N5O3S/c1-2-25-14-16-26(17-15-25)31(29,30)20-10-8-18(9-11-20)23-22(28)21-12-13-27(24-21)19-6-4-3-5-7-19/h3-13H,2,14-17H2,1H3,(H,23,28)
InChIKeyZCOUSQLSPPPWIP-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.45
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55668651) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55668651
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(-c4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H25N5O3S/c1-2-25-14-16-26(17-15-25)31(29,30)20-10-8-18(9-11-20)23-22(28)21-12-13-27(24-21)19-6-4-3-5-7-19/h3-13H,2,14-17H2,1H3,(H,23,28)
InChIKeyZCOUSQLSPPPWIP-UHFFFAOYSA-N
XLogP2.45
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
[4-(benzenesulfonyl)piperazin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 38820717
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
CID 49319709
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
(4-ethylsulfonylpiperazin-1-yl)-(1-phenylpyrazol-3-yl)methanone
CID 51100591
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
CID 55876152
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide (CID 55668651) is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(-c4ccccc4)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZCOUSQLSPPPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-2-25-14-16-26(17-15-25)31(29,30)20-10-8-18(9-11-20)23-22(28)21-12-13-27(24-21)19-6-4-3-5-7-19/h3-13H,2,14-17H2,1H3,(H,23,28).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55668651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).