1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C9H12FN3O3S — CID 168714711

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1cc(CN2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-12-4-7(3-11-12)5-13-6-8(2-9(13)14)17(10,15)16/h3-4,8H,2,5-6H2,1H3
InChIKeyYZQMUWZSKVXOFA-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.18
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714711) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714711
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1cc(CN2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-12-4-7(3-11-12)5-13-6-8(2-9(13)14)17(10,15)16/h3-4,8H,2,5-6H2,1H3
InChIKeyYZQMUWZSKVXOFA-UHFFFAOYSA-N
XLogP-0.18
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(1-methylpyrazol-4-yl)methyl]-3-sulfanylpropanamide
CID 177680764
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)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676307
[1-(1-Methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676308
5-Oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride
CID 168713141

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714711) is 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is Cn1cc(CN2CC(S(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is YZQMUWZSKVXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-12-4-7(3-11-12)5-13-6-8(2-9(13)14)17(10,15)16/h3-4,8H,2,5-6H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of -0.18, 3 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).