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

C14H19N5O4S — CID 124810694

IUPACN-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O4S/c1-10-13(23-9-15-10)14(20)18-6-11(5-17-24(2,21)22)7-19-12(8-18)3-4-16-19/h3-4,9,11,17H,5-8H2,1-2H3/t11-/m1/s1
InChIKeyPLEMMFOPODJQNT-LLVKDONJSA-N
MW353.40 g/mol
LogP0.00
Rot. Bonds4

About 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

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 (PubChem CID 124810694) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
PubChem CID124810694
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC NameN-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O4S/c1-10-13(23-9-15-10)14(20)18-6-11(5-17-24(2,21)22)7-19-12(8-18)3-4-16-19/h3-4,9,11,17H,5-8H2,1-2H3/t11-/m1/s1
InChIKeyPLEMMFOPODJQNT-LLVKDONJSA-N
XLogP0.00
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[[(7R)-5-(4-methyl-1,3-oxazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124812571
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-(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
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
[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124810978
N-[[(7R)-5-(2-thiophen-3-ylacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782118
N-[[(7S)-5-(2-cyclopentyloxyacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782882
N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 110133085
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
[4-(cyclopropylmethoxy)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 133139931
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1.
What is the InChIKey of 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?
The InChIKey is PLEMMFOPODJQNT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-10-13(23-9-15-10)14(20)18-6-11(5-17-24(2,21)22)7-19-12(8-18)3-4-16-19/h3-4,9,11,17H,5-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 353.40 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124810694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).