1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

C17H22N4O3S — CID 1013698

IUPAC1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C17H22N4O3S/c1-3-21-13(2)16(12-18-21)17(22)19-14-6-8-15(9-7-14)25(23,24)20-10-4-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyPXLBWEMQFXLUDZ-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.25
Rot. Bonds5

About 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 1013698) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID1013698
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C17H22N4O3S/c1-3-21-13(2)16(12-18-21)17(22)19-14-6-8-15(9-7-14)25(23,24)20-10-4-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)
InChIKeyPXLBWEMQFXLUDZ-UHFFFAOYSA-N
XLogP2.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (CID 1013698) is 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is PXLBWEMQFXLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-21-13(2)16(12-18-21)17(22)19-14-6-8-15(9-7-14)25(23,24)20-10-4-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1013698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).