5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid

C11H15N3O3 — CID 112756606

IUPAC5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(=O)NCC1CCn2ncc(C(=O)O)c2C1
InChIInChI=1S/C11H15N3O3/c1-7(15)12-5-8-2-3-14-10(4-8)9(6-13-14)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyPOXOSGQBNDDVFS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.28
Rot. Bonds3

About 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid

5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 112756606) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID112756606
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(=O)NCC1CCn2ncc(C(=O)O)c2C1
InChIInChI=1S/C11H15N3O3/c1-7(15)12-5-8-2-3-14-10(4-8)9(6-13-14)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyPOXOSGQBNDDVFS-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
(5R)-5-(acetamidomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129478908
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
5-(acetamidomethyl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 154754463
N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
CID 167890969
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402
5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358
5-(acetamidomethyl)-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166250152
5-(acetamidomethyl)-N-[[3-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166200358
N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
CID 167837739

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 112756606) is 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid is CC(=O)NCC1CCn2ncc(C(=O)O)c2C1.
What is the InChIKey of 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is POXOSGQBNDDVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)12-5-8-2-3-14-10(4-8)9(6-13-14)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 112756606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).