N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide

C15H21N5O4S — CID 124835004

IUPACN-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O4S/c1-10-14(11(2)24-18-10)15(21)19-7-12(6-17-25(3,22)23)8-20-13(9-19)4-5-16-20/h4-5,12,17H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyFHLGSKTZNBUUIM-GFCCVEGCSA-N
MW367.43 g/mol
LogP0.31
Rot. Bonds4

About N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide

N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide (PubChem CID 124835004) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
PubChem CID124835004
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O4S/c1-10-14(11(2)24-18-10)15(21)19-7-12(6-17-25(3,22)23)8-20-13(9-19)4-5-16-20/h4-5,12,17H,6-9H2,1-3H3/t12-/m1/s1
InChIKeyFHLGSKTZNBUUIM-GFCCVEGCSA-N
XLogP0.31
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(7R)-7-[(pyridin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124835480
N-[[(7S)-5-(2-methylfuran-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124811297
N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124810694
N-[[(7R)-5-(furan-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782709
N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 131638831
N-[[7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 131646145
N-[[(7S)-5-(2-cyclopentyloxyacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782882
N-[[(7R)-5-(2-thiophen-3-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782118
5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142151
N-[[(7S)-5-(3-methyl-1,2-oxazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124912837
N-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
CID 133144224
[(7S)-7-(ethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97463361

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide (CID 124835004) is N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide is Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
The InChIKey is FHLGSKTZNBUUIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10-14(11(2)24-18-10)15(21)19-7-12(6-17-25(3,22)23)8-20-13(9-19)4-5-16-20/h4-5,12,17H,6-9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide?
N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124835004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).