3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

C13H19N5O2S — CID 126947247

IUPAC3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCc1cnn(C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1
InChIInChI=1S/C13H19N5O2S/c1-9-6-14-18(7-9)12-4-5-17(8-12)21(19,20)13-10(2)15-16-11(13)3/h6-7,12H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLXYJWAGLBXBIFO-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.17
Rot. Bonds3

About 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole

3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (PubChem CID 126947247) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
PubChem CID126947247
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
SMILESCc1cnn(C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1
InChIInChI=1S/C13H19N5O2S/c1-9-6-14-18(7-9)12-4-5-17(8-12)21(19,20)13-10(2)15-16-11(13)3/h6-7,12H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLXYJWAGLBXBIFO-UHFFFAOYSA-N
XLogP1.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 102962583
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 60959114
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole (CID 126947247) is 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is Cc1cnn(C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1.
What is the InChIKey of 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
The InChIKey is LXYJWAGLBXBIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-6-14-18(7-9)12-4-5-17(8-12)21(19,20)13-10(2)15-16-11(13)3/h6-7,12H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole?
3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole has a molecular weight of 309.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 126947247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).