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

C19H28N4O4S — CID 69378659

IUPACN-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)NC3=C(NN=C3)C(=O)NC4CCCC4)C
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-/m1/s1
InChIKeyDESUZQREQXFTCC-FKWGRNQDSA-N
MW408.50 g/mol
LogP2.00
Rot. Bonds6

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

N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69378659) has the molecular formula C19H28N4O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69378659
Molecular FormulaC19H28N4O4S
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)NC3=C(NN=C3)C(=O)NC4CCCC4)C
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-/m1/s1
InChIKeyDESUZQREQXFTCC-FKWGRNQDSA-N
XLogP2.00
TPSA129.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity756

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 69379209
CID 69379209
CID 69379775
CID 69379775
CID 69379833
CID 69379833
CID 69379972
CID 69379972
CID 69380393
CID 69380393
CID 69380412
CID 69380412

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide (CID 69378659) is N-cyclopentyl-4-[[(1S)-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-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide is CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)NC3=C(NN=C3)C(=O)NC4CCCC4)C.
What is the InChIKey of N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is DESUZQREQXFTCC-FKWGRNQDSA-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-/m1/s1.
What are the key properties of N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide?
N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).