N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C16H25N3O3S — CID 84592716

IUPACN-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NS(=O)(=O)C2CCCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-11(2)10-19-15(12-7-8-12)14(9-17-19)16(20)18-23(21,22)13-5-3-4-6-13/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)
InChIKeyIGGBRIYUYGHQBY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.42
Rot. Bonds6

About N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 84592716) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID84592716
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NS(=O)(=O)C2CCCC2)c1C1CC1
InChIInChI=1S/C16H25N3O3S/c1-11(2)10-19-15(12-7-8-12)14(9-17-19)16(20)18-23(21,22)13-5-3-4-6-13/h9,11-13H,3-8,10H2,1-2H3,(H,18,20)
InChIKeyIGGBRIYUYGHQBY-UHFFFAOYSA-N
XLogP2.42
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 84592716) is N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)NS(=O)(=O)C2CCCC2)c1C1CC1.
What is the InChIKey of N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is IGGBRIYUYGHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)10-19-15(12-7-8-12)14(9-17-19)16(20)18-23(21,22)13-5-3-4-6-13/h9,11-13H,3-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylsulfonyl-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 84592716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).