1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide

C15H26N4O3S — CID 70749295

IUPAC1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-4-19-14(11-13(17-19)12(2)3)15(20)16-7-10-23(21,22)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyMFJFIRBIZXJFFU-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.18
Rot. Bonds7

About 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide

1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide (PubChem CID 70749295) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
PubChem CID70749295
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-4-19-14(11-13(17-19)12(2)3)15(20)16-7-10-23(21,22)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyMFJFIRBIZXJFFU-UHFFFAOYSA-N
XLogP1.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide (CID 70749295) is 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide?
The InChIKey is MFJFIRBIZXJFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-19-14(11-13(17-19)12(2)3)15(20)16-7-10-23(21,22)18-8-5-6-9-18/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide?
1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70749295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).