2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine

C18H17N5O2S — CID 118937507

IUPAC2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
SMILESCn1cc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccn3)=N2)cn1
InChIInChI=1S/C18H17N5O2S/c1-22-12-15(11-20-22)26(24,25)23-13-16(14-7-3-2-4-8-14)18(21-23)17-9-5-6-10-19-17/h2-12,16H,13H2,1H3
InChIKeyYRFVSLUTTZFYFD-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine

2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine (PubChem CID 118937507) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
PubChem CID118937507
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
SMILESCn1cc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccn3)=N2)cn1
InChIInChI=1S/C18H17N5O2S/c1-22-12-15(11-20-22)26(24,25)23-13-16(14-7-3-2-4-8-14)18(21-23)17-9-5-6-10-19-17/h2-12,16H,13H2,1H3
InChIKeyYRFVSLUTTZFYFD-UHFFFAOYSA-N
XLogP2.01
TPSA80.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Pyridine-based ligand, 12
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3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
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4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
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CID 11497883
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
4-Methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864527
1-[1-(benzenesulfonyl)-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25002632
N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine (CID 118937507) is 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine is Cn1cc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccn3)=N2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine?
The InChIKey is YRFVSLUTTZFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-22-12-15(11-20-22)26(24,25)23-13-16(14-7-3-2-4-8-14)18(21-23)17-9-5-6-10-19-17/h2-12,16H,13H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine?
2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine has a molecular weight of 367.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine is sourced from PubChem (CID 118937507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).