3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C10H12N4O — CID 84777861

IUPAC3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2ncc(C(=O)CCN)cn2n1
InChIInChI=1S/C10H12N4O/c1-7-4-10-12-5-8(6-14(10)13-7)9(15)2-3-11/h4-6H,2-3,11H2,1H3
InChIKeyCQWGJJZWELHKHF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.57
Rot. Bonds3

About 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 84777861) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID84777861
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2ncc(C(=O)CCN)cn2n1
InChIInChI=1S/C10H12N4O/c1-7-4-10-12-5-8(6-14(10)13-7)9(15)2-3-11/h4-6H,2-3,11H2,1H3
InChIKeyCQWGJJZWELHKHF-UHFFFAOYSA-N
XLogP0.57
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
2-Methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 45792526
N-[(E)-(dimethylamino)methylidene]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4322478
N-[2-(1-Cyclohexen-1-YL)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[E]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 20919395
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 53629150

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 84777861) is 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1cc2ncc(C(=O)CCN)cn2n1.
What is the InChIKey of 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is CQWGJJZWELHKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-4-10-12-5-8(6-14(10)13-7)9(15)2-3-11/h4-6H,2-3,11H2,1H3.
What are the key properties of 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 84777861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).