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

C15H17N3O3 — CID 175377648

IUPAC1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCOc1ccc(Cn2ncc3c2CCN(C(=O)O)C3)cc1
InChIInChI=1S/C15H17N3O3/c1-21-13-4-2-11(3-5-13)9-18-14-6-7-17(15(19)20)10-12(14)8-16-18/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyDEWLXCLVMKJNEE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.98
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 175377648) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID175377648
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
SMILESCOc1ccc(Cn2ncc3c2CCN(C(=O)O)C3)cc1
InChIInChI=1S/C15H17N3O3/c1-21-13-4-2-11(3-5-13)9-18-14-6-7-17(15(19)20)10-12(14)8-16-18/h2-5,8H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyDEWLXCLVMKJNEE-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490566
3-amino-1-[(4-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 175232810
3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
CID 91073110
6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
CID 148527421
5-[2-(dimethylamino)propanoyl]-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56707831
7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
CID 167745776
[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146108730
3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
CID 66716346
[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propan-2-yloxyphenyl)methanone
CID 56759466
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenyl)ethanone
CID 90620879

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid (CID 175377648) is 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid is COc1ccc(Cn2ncc3c2CCN(C(=O)O)C3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is DEWLXCLVMKJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-13-4-2-11(3-5-13)9-18-14-6-7-17(15(19)20)10-12(14)8-16-18/h2-5,8H,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 175377648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).