3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid

C14H19N3O2 — CID 104617901

IUPAC3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCCc1cnn2c(C)c(CC(C)C(=O)O)c(C)nc12
InChIInChI=1S/C14H19N3O2/c1-5-11-7-15-17-10(4)12(6-8(2)14(18)19)9(3)16-13(11)17/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyWVJWKIZCYDBSMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds4

About 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid

3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid (PubChem CID 104617901) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
PubChem CID104617901
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCCc1cnn2c(C)c(CC(C)C(=O)O)c(C)nc12
InChIInChI=1S/C14H19N3O2/c1-5-11-7-15-17-10(4)12(6-8(2)14(18)19)9(3)16-13(11)17/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyWVJWKIZCYDBSMC-UHFFFAOYSA-N
XLogP2.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 65293973
3-(2-methoxy-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid
CID 83102129
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
3-[1-(2,2-dimethylpropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
CID 65293601
2-methyl-3-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propanoic acid
CID 83836438
7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393
3-[4,6-dimethyl-1-(4-methylpentan-2-yl)-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
CID 65293363
3-[1-(1-amino-1-oxopropan-2-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
CID 65293412
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
3-[4,6-dimethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 82901762

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid (CID 104617901) is 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid is CCc1cnn2c(C)c(CC(C)C(=O)O)c(C)nc12.
What is the InChIKey of 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
The InChIKey is WVJWKIZCYDBSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-11-7-15-17-10(4)12(6-8(2)14(18)19)9(3)16-13(11)17/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid?
3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 104617901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).