5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C19H21N5O2 — CID 154565607

IUPAC5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2cccc(CN3CCc4[nH]nc(C(=O)O)c4C3)c2)n1
InChIInChI=1S/C19H21N5O2/c1-12-8-13(2)24(22-12)15-5-3-4-14(9-15)10-23-7-6-17-16(11-23)18(19(25)26)21-20-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21)(H,25,26)
InChIKeyIGJIIMNVFDBEQG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.47
Rot. Bonds4

About 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 154565607) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID154565607
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2cccc(CN3CCc4[nH]nc(C(=O)O)c4C3)c2)n1
InChIInChI=1S/C19H21N5O2/c1-12-8-13(2)24(22-12)15-5-3-4-14(9-15)10-23-7-6-17-16(11-23)18(19(25)26)21-20-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21)(H,25,26)
InChIKeyIGJIIMNVFDBEQG-UHFFFAOYSA-N
XLogP2.47
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038986
[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 74241965
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 135094833
5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 118777844
5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146042189
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 154565607) is 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1cc(C)n(-c2cccc(CN3CCc4[nH]nc(C(=O)O)c4C3)c2)n1.
What is the InChIKey of 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is IGJIIMNVFDBEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-8-13(2)24(22-12)15-5-3-4-14(9-15)10-23-7-6-17-16(11-23)18(19(25)26)21-20-17/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,20,21)(H,25,26).
What are the key properties of 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 154565607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).