5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C12H14N4O2 — CID 154592188

IUPAC5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CCCN1c1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C12H14N4O2/c1-8-3-2-5-15(8)10-4-6-16-11(14-10)9(7-13-16)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyGDBPXOCXMHVXGO-QMMMGPOBSA-N
MW246.27 g/mol
LogP1.42
Rot. Bonds2

About 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 154592188) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID154592188
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CCCN1c1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C12H14N4O2/c1-8-3-2-5-15(8)10-4-6-16-11(14-10)9(7-13-16)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyGDBPXOCXMHVXGO-QMMMGPOBSA-N
XLogP1.42
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
N-[3-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropyl]-5-(2-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130325538
5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67471093
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-[2-[2-(3-amino-3-methylbutyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 134468455
lithium;1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)ethanone;5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;(2S,6R)-2,6-dimethyloxane;hydroxide;hydrate
CID 158620484
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 154592188) is 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is C[C@H]1CCCN1c1ccn2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GDBPXOCXMHVXGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-3-2-5-15(8)10-4-6-16-11(14-10)9(7-13-16)12(17)18/h4,6-8H,2-3,5H2,1H3,(H,17,18)/t8-/m0/s1.
What are the key properties of 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 154592188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).