5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide

C13H19ClN6O2S — CID 70762201

IUPAC5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C13H19ClN6O2S/c1-9-12(13(14)19(2)17-9)23(21,22)16-7-10-6-11-8-15-4-3-5-20(11)18-10/h6,15-16H,3-5,7-8H2,1-2H3
InChIKeyWFSMPBYNYQAOLW-UHFFFAOYSA-N
MW358.86 g/mol
LogP0.55
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 70762201) has the molecular formula C13H19ClN6O2S and a molecular weight of 358.86 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID70762201
Molecular FormulaC13H19ClN6O2S
Molecular Weight358.86 g/mol
Exact Mass358.10
IUPAC Name5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc2n(n1)CCCNC2
InChIInChI=1S/C13H19ClN6O2S/c1-9-12(13(14)19(2)17-9)23(21,22)16-7-10-6-11-8-15-4-3-5-20(11)18-10/h6,15-16H,3-5,7-8H2,1-2H3
InChIKeyWFSMPBYNYQAOLW-UHFFFAOYSA-N
XLogP0.55
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918
5-chloro-1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 55870765
1,3-dimethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzimidazole-5-sulfonamide;hydrochloride
CID 154896902
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
CID 70738904
ethyl 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoate
CID 112547177
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 154895687
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71808656
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154895925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide (CID 70762201) is 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1cc2n(n1)CCCNC2.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is WFSMPBYNYQAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O2S/c1-9-12(13(14)19(2)17-9)23(21,22)16-7-10-6-11-8-15-4-3-5-20(11)18-10/h6,15-16H,3-5,7-8H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 358.86 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 70762201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).