1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H10ClN5O3S — CID 168712000

IUPAC1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1ncc2c(N3CC(S(=O)(=O)Cl)CC3=O)ncnc21
InChIInChI=1S/C10H10ClN5O3S/c1-15-9-7(3-14-15)10(13-5-12-9)16-4-6(2-8(16)17)20(11,18)19/h3,5-6H,2,4H2,1H3
InChIKeyQRZRRLZSOFHCCZ-UHFFFAOYSA-N
MW315.74 g/mol
LogP0.04
Rot. Bonds2

About 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712000) has the molecular formula C10H10ClN5O3S and a molecular weight of 315.74 g/mol. Its IUPAC name is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712000
Molecular FormulaC10H10ClN5O3S
Molecular Weight315.74 g/mol
Exact Mass315.02
IUPAC Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCn1ncc2c(N3CC(S(=O)(=O)Cl)CC3=O)ncnc21
InChIInChI=1S/C10H10ClN5O3S/c1-15-9-7(3-14-15)10(13-5-12-9)16-4-6(2-8(16)17)20(11,18)19/h3,5-6H,2,4H2,1H3
InChIKeyQRZRRLZSOFHCCZ-UHFFFAOYSA-N
XLogP0.04
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(bromomethyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168504806
S-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705882
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824
1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711997
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
5-oxo-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716301
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710902
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712000) is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is Cn1ncc2c(N3CC(S(=O)(=O)Cl)CC3=O)ncnc21.
What is the InChIKey of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is QRZRRLZSOFHCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3S/c1-15-9-7(3-14-15)10(13-5-12-9)16-4-6(2-8(16)17)20(11,18)19/h3,5-6H,2,4H2,1H3.
What are the key properties of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 315.74 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).