N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide

C22H35N5O2S — CID 58561353

IUPACN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(CCCN3CCNCC3)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C22H35N5O2S/c1-17(2)16-21-22(18(3)26(4)24-21)25-30(28,29)20-9-7-19(8-10-20)6-5-13-27-14-11-23-12-15-27/h7-10,17,23,25H,5-6,11-16H2,1-4H3
InChIKeyAZTWLWONEZFFNP-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.57
Rot. Bonds9

About N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide

N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 58561353) has the molecular formula C22H35N5O2S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID58561353
Molecular FormulaC22H35N5O2S
Molecular Weight433.62 g/mol
Exact Mass433.25
IUPAC NameN-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(CCCN3CCNCC3)cc2)c(CC(C)C)nn1C
InChIInChI=1S/C22H35N5O2S/c1-17(2)16-21-22(18(3)26(4)24-21)25-30(28,29)20-9-7-19(8-10-20)6-5-13-27-14-11-23-12-15-27/h7-10,17,23,25H,5-6,11-16H2,1-4H3
InChIKeyAZTWLWONEZFFNP-UHFFFAOYSA-N
XLogP2.57
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide (CID 58561353) is N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(CCCN3CCNCC3)cc2)c(CC(C)C)nn1C.
What is the InChIKey of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is AZTWLWONEZFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2S/c1-17(2)16-21-22(18(3)26(4)24-21)25-30(28,29)20-9-7-19(8-10-20)6-5-13-27-14-11-23-12-15-27/h7-10,17,23,25H,5-6,11-16H2,1-4H3.
What are the key properties of N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide?
N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 433.62 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]-4-(3-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 58561353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).