1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

C12H12N4OS — CID 136504170

IUPAC1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCc1nn(C)c2c1C(c1cccs1)=NCC(=O)N2
InChIInChI=1S/C12H12N4OS/c1-7-10-11(8-4-3-5-18-8)13-6-9(17)14-12(10)16(2)15-7/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyQDVBPTITOYHXBZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one

1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (PubChem CID 136504170) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
PubChem CID136504170
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
SMILESCc1nn(C)c2c1C(c1cccs1)=NCC(=O)N2
InChIInChI=1S/C12H12N4OS/c1-7-10-11(8-4-3-5-18-8)13-6-9(17)14-12(10)16(2)15-7/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyQDVBPTITOYHXBZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875698
5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875703
5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
1,3-Dimethyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
CID 136504169
3-Ethyl-1-methyl-4-phenyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
CID 136504171
3-Ethyl-4-(2-fluorophenyl)-1-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
CID 136504174
1-Ethyl-4-(2-fluorophenyl)-3-methyl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one
CID 136504183
N-(2,5-dimethylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45811643
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 45877407
1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418906

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The IUPAC name of 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one (CID 136504170) is 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one.
What is the SMILES notation for 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The canonical SMILES for 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is Cc1nn(C)c2c1C(c1cccs1)=NCC(=O)N2.
What is the InChIKey of 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
The InChIKey is QDVBPTITOYHXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-10-11(8-4-3-5-18-8)13-6-9(17)14-12(10)16(2)15-7/h3-5H,6H2,1-2H3,(H,14,17).
What are the key properties of 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one?
1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one has a molecular weight of 260.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-thiophen-2-yl-6,8-dihydropyrazolo[5,4-e][1,4]diazepin-7-one is sourced from PubChem (CID 136504170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).