1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

C13H15N5O3S — CID 168718021

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCn1nc(-c2cccnc2)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C13H15N5O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3,(H2,14,20,21)
InChIKeyWESHRWZEMFVSAP-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.12
Rot. Bonds3

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718021) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718021
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCn1nc(-c2cccnc2)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C13H15N5O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3,(H2,14,20,21)
InChIKeyWESHRWZEMFVSAP-UHFFFAOYSA-N
XLogP-0.12
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714693
S-[1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705858
4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
CID 168657039
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716927
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168717692
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719470

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168718021) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is Cn1nc(-c2cccnc2)cc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is WESHRWZEMFVSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3,(H2,14,20,21).
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 321.36 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).