N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide

C19H28N4O4S — CID 69380412

IUPACN-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NC1CCCC1)C(=O)C2
InChIInChI=1S/C19H28N4O4S/c1-18(2)12-7-8-19(18,15(24)9-12)11-28(26,27)23-14-10-20-22-16(14)17(25)21-13-5-3-4-6-13/h10,12-13,23H,3-9,11H2,1-2H3,(H,20,22)(H,21,25)/t12?,19-/m0/s1
InChIKeyDESUZQREQXFTCC-RKLCOFROSA-N
MW408.52 g/mol
LogP2.22
Rot. Bonds6

About N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide

N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69380412) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69380412
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NC1CCCC1)C(=O)C2
InChIInChI=1S/C19H28N4O4S/c1-18(2)12-7-8-19(18,15(24)9-12)11-28(26,27)23-14-10-20-22-16(14)17(25)21-13-5-3-4-6-13/h10,12-13,23H,3-9,11H2,1-2H3,(H,20,22)(H,21,25)/t12?,19-/m0/s1
InChIKeyDESUZQREQXFTCC-RKLCOFROSA-N
XLogP2.22
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide (CID 69380412) is N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide is CC1(C)C2CC[C@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NC1CCCC1)C(=O)C2.
What is the InChIKey of N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is DESUZQREQXFTCC-RKLCOFROSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-18(2)12-7-8-19(18,15(24)9-12)11-28(26,27)23-14-10-20-22-16(14)17(25)21-13-5-3-4-6-13/h10,12-13,23H,3-9,11H2,1-2H3,(H,20,22)(H,21,25)/t12?,19-/m0/s1.
What are the key properties of N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).