[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H14FN3O3S — CID 168676307

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1cc(CN2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-13-4-9(3-12-13)6-14-5-8(2-10(14)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3
InChIKeySGKWHQQDCFJVIW-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.07
Rot. Bonds4

About [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676307) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676307
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1cc(CN2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-13-4-9(3-12-13)6-14-5-8(2-10(14)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3
InChIKeySGKWHQQDCFJVIW-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfonylacetamide
CID 167905486
[5-Oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674737
[5-Oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675199
[1-(4-Methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675299
[5-Oxo-1-(1-propylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675300
[1-(1-Ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675429
[1-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675448
[1-[(1,5-Dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676083
[1-(1-Methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676308
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676633
5-Oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713141
5-Oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713603

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676307) is [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1cc(CN2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is SGKWHQQDCFJVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-13-4-9(3-12-13)6-14-5-8(2-10(14)15)7-18(11,16)17/h3-4,8H,2,5-7H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).