1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C13H14N6O — CID 164988100

IUPAC1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2c(N)c(-c3cnn(C)c3)c(C)nc12
InChIInChI=1S/C13H14N6O/c1-7-11(9-4-15-18(3)6-9)12(14)19-13(17-7)10(5-16-19)8(2)20/h4-6H,14H2,1-3H3
InChIKeyGLOFSLBETGVAHE-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.22
Rot. Bonds2

About 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 164988100) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID164988100
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2c(N)c(-c3cnn(C)c3)c(C)nc12
InChIInChI=1S/C13H14N6O/c1-7-11(9-4-15-18(3)6-9)12(14)19-13(17-7)10(5-16-19)8(2)20/h4-6H,14H2,1-3H3
InChIKeyGLOFSLBETGVAHE-UHFFFAOYSA-N
XLogP1.22
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 133063514
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
ethyl 4-acetyl-5-methyl-3-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxylate
CID 154689025
5,7-dimethyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 5168610
methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59461253
1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
CID 70215490
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 58364790
cyclopentane;3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143439835
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11553059
1-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]azepan-1-yl]ethanone
CID 58364631
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 164988100) is 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2c(N)c(-c3cnn(C)c3)c(C)nc12.
What is the InChIKey of 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is GLOFSLBETGVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-11(9-4-15-18(3)6-9)12(14)19-13(17-7)10(5-16-19)8(2)20/h4-6H,14H2,1-3H3.
What are the key properties of 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 164988100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).