4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine

C17H20N6O2S — CID 167955844

IUPAC4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine
SMILESCC(C)n1ccc(CS(=O)(=O)c2nnc(-c3ccncc3)n2C2CC2)n1
InChIInChI=1S/C17H20N6O2S/c1-12(2)22-10-7-14(21-22)11-26(24,25)17-20-19-16(23(17)15-3-4-15)13-5-8-18-9-6-13/h5-10,12,15H,3-4,11H2,1-2H3
InChIKeySDRGRSMSUPZWIQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.43
Rot. Bonds6

About 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine

4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 167955844) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID167955844
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine
SMILESCC(C)n1ccc(CS(=O)(=O)c2nnc(-c3ccncc3)n2C2CC2)n1
InChIInChI=1S/C17H20N6O2S/c1-12(2)22-10-7-14(21-22)11-26(24,25)17-20-19-16(23(17)15-3-4-15)13-5-8-18-9-6-13/h5-10,12,15H,3-4,11H2,1-2H3
InChIKeySDRGRSMSUPZWIQ-UHFFFAOYSA-N
XLogP2.43
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-4-propyl-1,2,4-triazole
CID 99843404
3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]-1,2-oxazole
CID 71857400
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
CID 8722760
(2R)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)propanamide
CID 8959585
8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 64771332
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 8722781
4-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile
CID 71861082
(2S)-N-carbamoyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8722724
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]butan-2-amine
CID 81194177
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3,4,6-tetramethylphenyl)ethanone
CID 8722757
methyl N-[(2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate
CID 8959576
4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 862853

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine (CID 167955844) is 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine is CC(C)n1ccc(CS(=O)(=O)c2nnc(-c3ccncc3)n2C2CC2)n1.
What is the InChIKey of 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is SDRGRSMSUPZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-12(2)22-10-7-14(21-22)11-26(24,25)17-20-19-16(23(17)15-3-4-15)13-5-8-18-9-6-13/h5-10,12,15H,3-4,11H2,1-2H3.
What are the key properties of 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine?
4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 372.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 167955844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).