N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide

C16H26N6O2S — CID 70704519

IUPACN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCCn1cc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c(C)n1
InChIInChI=1S/C16H26N6O2S/c1-4-21-11-14(13(2)18-21)10-20-6-5-7-22-16(12-20)8-15(19-22)9-17-25(3,23)24/h8,11,17H,4-7,9-10,12H2,1-3H3
InChIKeyGRSWKMLRWBUBRW-UHFFFAOYSA-N
MW366.49 g/mol
LogP0.86
Rot. Bonds6

About N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide

N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (PubChem CID 70704519) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
PubChem CID70704519
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC NameN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCCn1cc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c(C)n1
InChIInChI=1S/C16H26N6O2S/c1-4-21-11-14(13(2)18-21)10-20-6-5-7-22-16(12-20)8-15(19-22)9-17-25(3,23)24/h8,11,17H,4-7,9-10,12H2,1-3H3
InChIKeyGRSWKMLRWBUBRW-UHFFFAOYSA-N
XLogP0.86
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (CID 70704519) is N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is CCn1cc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)c(C)n1.
What is the InChIKey of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The InChIKey is GRSWKMLRWBUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-4-21-11-14(13(2)18-21)10-20-6-5-7-22-16(12-20)8-15(19-22)9-17-25(3,23)24/h8,11,17H,4-7,9-10,12H2,1-3H3.
What are the key properties of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70704519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).