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

C15H23N5O3S — CID 131656985

IUPACN-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide
SMILESCc1cc(CN2Cc3ccnn3CC(CCNS(C)(=O)=O)C2)no1
InChIInChI=1S/C15H23N5O3S/c1-12-7-14(18-23-12)10-19-8-13(3-6-17-24(2,21)22)9-20-15(11-19)4-5-16-20/h4-5,7,13,17H,3,6,8-11H2,1-2H3
InChIKeyXKSHGBWVCOOLCV-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.75
Rot. Bonds6

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

N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide (PubChem CID 131656985) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide
PubChem CID131656985
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide
SMILESCc1cc(CN2Cc3ccnn3CC(CCNS(C)(=O)=O)C2)no1
InChIInChI=1S/C15H23N5O3S/c1-12-7-14(18-23-12)10-19-8-13(3-6-17-24(2,21)22)9-20-15(11-19)4-5-16-20/h4-5,7,13,17H,3,6,8-11H2,1-2H3
InChIKeyXKSHGBWVCOOLCV-UHFFFAOYSA-N
XLogP0.75
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide (CID 131656985) is N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide is Cc1cc(CN2Cc3ccnn3CC(CCNS(C)(=O)=O)C2)no1.
What is the InChIKey of N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide?
The InChIKey is XKSHGBWVCOOLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-12-7-14(18-23-12)10-19-8-13(3-6-17-24(2,21)22)9-20-15(11-19)4-5-16-20/h4-5,7,13,17H,3,6,8-11H2,1-2H3.
What are the key properties of N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide?
N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 131656985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).