methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate

C16H19N3O2 — CID 82585693

IUPACmethyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2nc(C)c3c2CCN(C)C3)c1
InChIInChI=1S/C16H19N3O2/c1-11-14-10-18(2)8-7-15(14)19(17-11)13-6-4-5-12(9-13)16(20)21-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyFMVCPJJSNHXTNM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds2

About methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate

methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate (PubChem CID 82585693) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
PubChem CID82585693
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1cccc(-n2nc(C)c3c2CCN(C)C3)c1
InChIInChI=1S/C16H19N3O2/c1-11-14-10-18(2)8-7-15(14)19(17-11)13-6-4-5-12(9-13)16(20)21-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyFMVCPJJSNHXTNM-UHFFFAOYSA-N
XLogP1.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate 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

methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458892
methyl 3-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 50888948
methyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760298
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
methyl 3-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110459041
3-(3,5-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105485921
methyl 3-(4,5-dimethylimidazol-1-yl)benzoate
CID 71378704
1-(3-methoxycarbonylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 82361886
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 80556382

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate?
The IUPAC name of methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate (CID 82585693) is methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate?
The canonical SMILES for methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate is COC(=O)c1cccc(-n2nc(C)c3c2CCN(C)C3)c1.
What is the InChIKey of methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate?
The InChIKey is FMVCPJJSNHXTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14-10-18(2)8-7-15(14)19(17-11)13-6-4-5-12(9-13)16(20)21-3/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate?
methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate has a molecular weight of 285.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate is sourced from PubChem (CID 82585693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).