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

C17H26N4O4S — CID 69379775

IUPAC4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H26N4O4S/c1-10(2)19-15(23)14-12(8-18-20-14)21-26(24,25)9-17-6-5-11(7-13(17)22)16(17,3)4/h8,10-11,21H,5-7,9H2,1-4H3,(H,18,20)(H,19,23)/t11?,17-/m1/s1
InChIKeyFYJREZIPQJOPCF-DFDFJRDNSA-N
MW382.49 g/mol
LogP1.68
Rot. Bonds6

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

4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69379775) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69379775
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1[nH]ncc1NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C
InChIInChI=1S/C17H26N4O4S/c1-10(2)19-15(23)14-12(8-18-20-14)21-26(24,25)9-17-6-5-11(7-13(17)22)16(17,3)4/h8,10-11,21H,5-7,9H2,1-4H3,(H,18,20)(H,19,23)/t11?,17-/m1/s1
InChIKeyFYJREZIPQJOPCF-DFDFJRDNSA-N
XLogP1.68
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.68
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-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69379775) is 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-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-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=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-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is FYJREZIPQJOPCF-DFDFJRDNSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-10(2)19-15(23)14-12(8-18-20-14)21-26(24,25)9-17-6-5-11(7-13(17)22)16(17,3)4/h8,10-11,21H,5-7,9H2,1-4H3,(H,18,20)(H,19,23)/t11?,17-/m1/s1.
What are the key properties of 4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 1.68, 6 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-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).