5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C16H20N4O — CID 84614120

IUPAC5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(N2CCc3c(c(C(N)=O)nn3C)C2)cc1C
InChIInChI=1S/C16H20N4O/c1-10-4-5-12(8-11(10)2)20-7-6-14-13(9-20)15(16(17)21)18-19(14)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,21)
InChIKeyVKMBRDMRRUVTAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.70
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 84614120) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID84614120
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(N2CCc3c(c(C(N)=O)nn3C)C2)cc1C
InChIInChI=1S/C16H20N4O/c1-10-4-5-12(8-11(10)2)20-7-6-14-13(9-20)15(16(17)21)18-19(14)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,21)
InChIKeyVKMBRDMRRUVTAP-UHFFFAOYSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614119
5-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614098
5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 84614107
1-(3,4-dimethylphenyl)pyrrolidin-3-one
CID 23052682
5-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56703951
5-carbamoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 84689012
1-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-methyl-5-[(2S)-2-pyrazol-1-ylbutanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 125162188
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066637
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
5-ethyl-1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614188

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 84614120) is 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(N2CCc3c(c(C(N)=O)nn3C)C2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VKMBRDMRRUVTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-4-5-12(8-11(10)2)20-7-6-14-13(9-20)15(16(17)21)18-19(14)3/h4-5,8H,6-7,9H2,1-3H3,(H2,17,21).
What are the key properties of 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 84614120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).