3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide

C18H23N5O2S — CID 22207256

IUPAC3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C18H23N5O2S/c1-14-12-19-22(13-14)11-7-10-20-26(24,25)18-15(2)21-23(16(18)3)17-8-5-4-6-9-17/h4-6,8-9,12-13,20H,7,10-11H2,1-3H3
InChIKeyIMSDNBXXFRKLDU-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds7

About 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide

3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 22207256) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID22207256
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C18H23N5O2S/c1-14-12-19-22(13-14)11-7-10-20-26(24,25)18-15(2)21-23(16(18)3)17-8-5-4-6-9-17/h4-6,8-9,12-13,20H,7,10-11H2,1-3H3
InChIKeyIMSDNBXXFRKLDU-UHFFFAOYSA-N
XLogP2.36
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide (CID 22207256) is 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide is Cc1cnn(CCCNS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is IMSDNBXXFRKLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-14-12-19-22(13-14)11-7-10-20-26(24,25)18-15(2)21-23(16(18)3)17-8-5-4-6-9-17/h4-6,8-9,12-13,20H,7,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22207256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).