2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H11N3O3 — CID 123914471

IUPAC2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(CC3CC3)[nH]n2c1=O
InChIInChI=1S/C11H11N3O3/c15-10-8(11(16)17)5-12-9-4-7(13-14(9)10)3-6-1-2-6/h4-6,13H,1-3H2,(H,16,17)
InChIKeyUMYNMOXJLWNHEW-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.67
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 123914471) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID123914471
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(CC3CC3)[nH]n2c1=O
InChIInChI=1S/C11H11N3O3/c15-10-8(11(16)17)5-12-9-4-7(13-14(9)10)3-6-1-2-6/h4-6,13H,1-3H2,(H,16,17)
InChIKeyUMYNMOXJLWNHEW-UHFFFAOYSA-N
XLogP0.67
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
CID 2819104
2-Methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 22468379
2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 72204047
4,7-Dihydro-2-(1-methylethyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 72204216
2-cyclopentyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 72204217
3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118607699
2-[(E)-but-2-en-2-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 123186342
2-[(2E)-hexa-2,4-dien-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 123603284
2-cyclopentyl-6-(hydroxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124128928
2-butan-2-yl-6-(dihydroxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;ethane
CID 145672451
2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 175125088
5-Cyclopropyl-7-hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 123914471) is 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2cc(CC3CC3)[nH]n2c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is UMYNMOXJLWNHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10-8(11(16)17)5-12-9-4-7(13-14(9)10)3-6-1-2-6/h4-6,13H,1-3H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 123914471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).