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

C15H22N4O4S — CID 69379833

IUPAC4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C15H22N4O4S/c1-14(2)9-4-5-15(14,11(20)6-9)8-24(22,23)19-10-7-17-18-12(10)13(21)16-3/h7,9,19H,4-6,8H2,1-3H3,(H,16,21)(H,17,18)/t9?,15-/m1/s1
InChIKeyVYZHAZLVIARIFG-NZDRZINCSA-N
MW354.43 g/mol
LogP0.91
Rot. Bonds5

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

4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 69379833) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID69379833
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1[nH]ncc1NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C15H22N4O4S/c1-14(2)9-4-5-15(14,11(20)6-9)8-24(22,23)19-10-7-17-18-12(10)13(21)16-3/h7,9,19H,4-6,8H2,1-3H3,(H,16,21)(H,17,18)/t9?,15-/m1/s1
InChIKeyVYZHAZLVIARIFG-NZDRZINCSA-N
XLogP0.91
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide (CID 69379833) is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1[nH]ncc1NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C.
What is the InChIKey of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is VYZHAZLVIARIFG-NZDRZINCSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-14(2)9-4-5-15(14,11(20)6-9)8-24(22,23)19-10-7-17-18-12(10)13(21)16-3/h7,9,19H,4-6,8H2,1-3H3,(H,16,21)(H,17,18)/t9?,15-/m1/s1.
What are the key properties of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).