2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

C14H13N3O3 — CID 82269761

IUPAC2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1nc2cc(-c3ccco3)nn2c(C)c1CC(=O)O
InChIInChI=1S/C14H13N3O3/c1-8-10(6-14(18)19)9(2)17-13(15-8)7-11(16-17)12-4-3-5-20-12/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyRGDDBDNBDUUVJU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (PubChem CID 82269761) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
PubChem CID82269761
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
SMILESCc1nc2cc(-c3ccco3)nn2c(C)c1CC(=O)O
InChIInChI=1S/C14H13N3O3/c1-8-10(6-14(18)19)9(2)17-13(15-8)7-11(16-17)12-4-3-5-20-12/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyRGDDBDNBDUUVJU-UHFFFAOYSA-N
XLogP2.23
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 23603999
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 5307346
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23604016
acetic acid;7-(furan-2-yl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170704
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
2-(furan-2-yl)-7-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040536
7-(furan-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170670
(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
CID 51596288
2-(furan-2-yl)-7-methyl-N-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175373
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33446336
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95058555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid (CID 82269761) is 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is Cc1nc2cc(-c3ccco3)nn2c(C)c1CC(=O)O.
What is the InChIKey of 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
The InChIKey is RGDDBDNBDUUVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-10(6-14(18)19)9(2)17-13(15-8)7-11(16-17)12-4-3-5-20-12/h3-5,7H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid?
2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid has a molecular weight of 271.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 82269761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).