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

C19H24N4O5S — CID 69380239

IUPAC4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NCc1ccco1)C(=O)C2
InChIInChI=1S/C19H24N4O5S/c1-18(2)12-5-6-19(18,15(24)8-12)11-29(26,27)23-14-10-21-22-16(14)17(25)20-9-13-4-3-7-28-13/h3-4,7,10,12,23H,5-6,8-9,11H2,1-2H3,(H,20,25)(H,21,22)/t12?,19-/m1/s1
InChIKeyAOSNXXPLKJLPEK-FKWGRNQDSA-N
MW420.49 g/mol
LogP2.07
Rot. Bonds7

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

4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 69380239) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID69380239
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NCc1ccco1)C(=O)C2
InChIInChI=1S/C19H24N4O5S/c1-18(2)12-5-6-19(18,15(24)8-12)11-29(26,27)23-14-10-21-22-16(14)17(25)20-9-13-4-3-7-28-13/h3-4,7,10,12,23H,5-6,8-9,11H2,1-2H3,(H,20,25)(H,21,22)/t12?,19-/m1/s1
InChIKeyAOSNXXPLKJLPEK-FKWGRNQDSA-N
XLogP2.07
TPSA134.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379775
N-(furan-2-ylmethyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 69379558
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69381406
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
CID 7939190
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69379894
N-(2,3-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430856
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466
4-[[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]methyl]benzenesulfonamide
CID 53318913
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 124631888
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472298
N-(furan-2-ylmethyl)-7,7-dimethyl-6-oxo-5H-cyclopenta[b]pyridine-3-carboxamide
CID 159362308
CID 11635903
CID 11635903

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 69380239) is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is CC1(C)C2CC[C@@]1(CS(=O)(=O)Nc1cn[nH]c1C(=O)NCc1ccco1)C(=O)C2.
What is the InChIKey of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AOSNXXPLKJLPEK-FKWGRNQDSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-18(2)12-5-6-19(18,15(24)8-12)11-29(26,27)23-14-10-21-22-16(14)17(25)20-9-13-4-3-7-28-13/h3-4,7,10,12,23H,5-6,8-9,11H2,1-2H3,(H,20,25)(H,21,22)/t12?,19-/m1/s1.
What are the key properties of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).