4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide

C24H30N6O3S — CID 56670140

IUPAC4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)c1
InChIInChI=1S/C24H30N6O3S/c1-3-15-34(32,33)28-20-6-4-5-19(16-20)22-17-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(2)12-14-30/h4-10,16-17,28H,3,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyPNQKUBCEFGAMEO-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.23
Rot. Bonds8

About 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide

4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 56670140) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID56670140
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)c1
InChIInChI=1S/C24H30N6O3S/c1-3-15-34(32,33)28-20-6-4-5-19(16-20)22-17-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(2)12-14-30/h4-10,16-17,28H,3,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyPNQKUBCEFGAMEO-UHFFFAOYSA-N
XLogP3.23
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide (CID 56670140) is 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide is CCCS(=O)(=O)Nc1cccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)n[nH]2)c1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is PNQKUBCEFGAMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-3-15-34(32,33)28-20-6-4-5-19(16-20)22-17-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(2)12-14-30/h4-10,16-17,28H,3,11-15H2,1-2H3,(H2,25,26,27,31).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide?
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[5-[3-(propylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 56670140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).