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

C14H22N6O2S — CID 70783094

IUPACN-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCc1cnc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)[nH]1
InChIInChI=1S/C14H22N6O2S/c1-11-7-15-14(17-11)10-19-4-3-5-20-13(9-19)6-12(18-20)8-16-23(2,21)22/h6-7,16H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyVJOAOTFVRDYMFV-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.37
Rot. Bonds5

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

N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (PubChem CID 70783094) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
PubChem CID70783094
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
SMILESCc1cnc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)[nH]1
InChIInChI=1S/C14H22N6O2S/c1-11-7-15-14(17-11)10-19-4-3-5-20-13(9-19)6-12(18-20)8-16-23(2,21)22/h6-7,16H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyVJOAOTFVRDYMFV-UHFFFAOYSA-N
XLogP0.37
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide (CID 70783094) is N-[[5-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is Cc1cnc(CN2CCCn3nc(CNS(C)(=O)=O)cc3C2)[nH]1.
What is the InChIKey of N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
The InChIKey is VJOAOTFVRDYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11-7-15-14(17-11)10-19-4-3-5-20-13(9-19)6-12(18-20)8-16-23(2,21)22/h6-7,16H,3-5,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide?
N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide has a molecular weight of 338.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70783094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).