1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

C9H14N4O3S — CID 47034924

IUPAC1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2C(N)=O)cn1
InChIInChI=1S/C9H14N4O3S/c1-12-6-7(5-11-12)17(15,16)13-4-2-3-8(13)9(10)14/h5-6,8H,2-4H2,1H3,(H2,10,14)
InChIKeyHTYRFZCYJHSFMY-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.94
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 47034924) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID47034924
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2C(N)=O)cn1
InChIInChI=1S/C9H14N4O3S/c1-12-6-7(5-11-12)17(15,16)13-4-2-3-8(13)9(10)14/h5-6,8H,2-4H2,1H3,(H2,10,14)
InChIKeyHTYRFZCYJHSFMY-UHFFFAOYSA-N
XLogP-0.94
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide (CID 47034924) is 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2C(N)=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HTYRFZCYJHSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-12-6-7(5-11-12)17(15,16)13-4-2-3-8(13)9(10)14/h5-6,8H,2-4H2,1H3,(H2,10,14).
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide?
1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47034924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).