4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid

C17H19N3O3 — CID 120512943

IUPAC4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C17H19N3O3/c21-16(14-11-19-20-10-2-1-3-15(14)20)18-9-8-12-4-6-13(7-5-12)17(22)23/h4-7,11H,1-3,8-10H2,(H,18,21)(H,22,23)
InChIKeyAKIMWOPUETWFAN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.89
Rot. Bonds5

About 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid

4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid (PubChem CID 120512943) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
PubChem CID120512943
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cnn3c2CCCC3)cc1
InChIInChI=1S/C17H19N3O3/c21-16(14-11-19-20-10-2-1-3-15(14)20)18-9-8-12-4-6-13(7-5-12)17(22)23/h4-7,11H,1-3,8-10H2,(H,18,21)(H,22,23)
InChIKeyAKIMWOPUETWFAN-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)octanoic acid
CID 120535565
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[3-(3-fluoroanilino)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 75520895
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56893899
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138014016
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
2-methyl-2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenyl]propanoic acid
CID 120528669
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)phenoxy]acetic acid
CID 120537229
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537094
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid (CID 120512943) is 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cnn3c2CCCC3)cc1.
What is the InChIKey of 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid?
The InChIKey is AKIMWOPUETWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(14-11-19-20-10-2-1-3-15(14)20)18-9-8-12-4-6-13(7-5-12)17(22)23/h4-7,11H,1-3,8-10H2,(H,18,21)(H,22,23).
What are the key properties of 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid?
4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid has a molecular weight of 313.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 120512943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).