4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid

C19H20N4O2 — CID 125021982

IUPAC4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid
SMILESC[C@]1(c2ccnc3ccnn23)CCCN1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(16-7-10-20-17-8-11-21-23(16)17)9-2-12-22(19)13-14-3-5-15(6-4-14)18(24)25/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyYNONYZIJCUNPOR-LJQANCHMSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds4

About 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid

4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid (PubChem CID 125021982) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid
PubChem CID125021982
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid
SMILESC[C@]1(c2ccnc3ccnn23)CCCN1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(16-7-10-20-17-8-11-21-23(16)17)9-2-12-22(19)13-14-3-5-15(6-4-14)18(24)25/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyYNONYZIJCUNPOR-LJQANCHMSA-N
XLogP2.94
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-benzoic acid
CID 743045
Zolpidem carboxylic acid
CID 11966044
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
AP-24600
CID 58945624

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid (CID 125021982) is 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid is C[C@]1(c2ccnc3ccnn23)CCCN1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid?
The InChIKey is YNONYZIJCUNPOR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(16-7-10-20-17-8-11-21-23(16)17)9-2-12-22(19)13-14-3-5-15(6-4-14)18(24)25/h3-8,10-11H,2,9,12-13H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid?
4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid has a molecular weight of 336.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-methyl-2-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 125021982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).