2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C11H14FN5O2S — CID 164931896

IUPAC2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c(S(=O)(=O)n2cc3c(n2)CNC3)cnn1CCF
InChIInChI=1S/C11H14FN5O2S/c1-8-11(6-14-16(8)3-2-12)20(18,19)17-7-9-4-13-5-10(9)15-17/h6-7,13H,2-5H2,1H3
InChIKeyKIPDYAUZWYMEGU-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.20
Rot. Bonds4

About 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 164931896) has the molecular formula C11H14FN5O2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID164931896
Molecular FormulaC11H14FN5O2S
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c(S(=O)(=O)n2cc3c(n2)CNC3)cnn1CCF
InChIInChI=1S/C11H14FN5O2S/c1-8-11(6-14-16(8)3-2-12)20(18,19)17-7-9-4-13-5-10(9)15-17/h6-7,13H,2-5H2,1H3
InChIKeyKIPDYAUZWYMEGU-UHFFFAOYSA-N
XLogP0.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one
CID 164872319
6-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-1-methylindazole
CID 156875619
2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 156875863
2-[4-(difluoromethoxy)phenyl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;hydrochloride
CID 156876013
2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 121199744
1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
2-(2-methoxyethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 142527806
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034
1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 131735109
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 164931896) is 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cc1c(S(=O)(=O)n2cc3c(n2)CNC3)cnn1CCF.
What is the InChIKey of 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is KIPDYAUZWYMEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2S/c1-8-11(6-14-16(8)3-2-12)20(18,19)17-7-9-4-13-5-10(9)15-17/h6-7,13H,2-5H2,1H3.
What are the key properties of 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 299.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 164931896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).