3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid

C16H19N3O2 — CID 166258602

IUPAC3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid
SMILESCc1cc(NCc2cc3n(n2)CCCC3)cc(C(=O)O)c1
InChIInChI=1S/C16H19N3O2/c1-11-6-12(16(20)21)8-13(7-11)17-10-14-9-15-4-2-3-5-19(15)18-14/h6-9,17H,2-5,10H2,1H3,(H,20,21)
InChIKeyFPKATZVEWUCNBD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.84
Rot. Bonds4

About 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid

3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid (PubChem CID 166258602) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid
PubChem CID166258602
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid
SMILESCc1cc(NCc2cc3n(n2)CCCC3)cc(C(=O)O)c1
InChIInChI=1S/C16H19N3O2/c1-11-6-12(16(20)21)8-13(7-11)17-10-14-9-15-4-2-3-5-19(15)18-14/h6-9,17H,2-5,10H2,1H3,(H,20,21)
InChIKeyFPKATZVEWUCNBD-UHFFFAOYSA-N
XLogP2.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid?
The IUPAC name of 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid (CID 166258602) is 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid?
The canonical SMILES for 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid is Cc1cc(NCc2cc3n(n2)CCCC3)cc(C(=O)O)c1.
What is the InChIKey of 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid?
The InChIKey is FPKATZVEWUCNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-12(16(20)21)8-13(7-11)17-10-14-9-15-4-2-3-5-19(15)18-14/h6-9,17H,2-5,10H2,1H3,(H,20,21).
What are the key properties of 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid?
3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 166258602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).