5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C15H17N3O3 — CID 84614107

IUPAC5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1cccc(N2CCc3c(c(C(=O)O)nn3C)C2)c1
InChIInChI=1S/C15H17N3O3/c1-17-13-6-7-18(9-12(13)14(16-17)15(19)20)10-4-3-5-11(8-10)21-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyUBDWHKPWJNAFDM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.69
Rot. Bonds3

About 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 84614107) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID84614107
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1cccc(N2CCc3c(c(C(=O)O)nn3C)C2)c1
InChIInChI=1S/C15H17N3O3/c1-17-13-6-7-18(9-12(13)14(16-17)15(19)20)10-4-3-5-11(8-10)21-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyUBDWHKPWJNAFDM-UHFFFAOYSA-N
XLogP1.69
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614098
5-carbamoyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 84689012
2-[1-(3-methoxyphenyl)piperidin-4-ylidene]acetic acid
CID 53435654
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylic acid
CID 82207563
1-methyl-5-(1-methylindole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56710526
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
N-(2,5-dimethoxyphenyl)-1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066866
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389062

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 84614107) is 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is COc1cccc(N2CCc3c(c(C(=O)O)nn3C)C2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is UBDWHKPWJNAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-13-6-7-18(9-12(13)14(16-17)15(19)20)10-4-3-5-11(8-10)21-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 84614107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).