1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C9H10N4O — CID 90867694

IUPAC1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1ccn2ncc(C(C)=O)c2n1
InChIInChI=1S/C9H10N4O/c1-6(14)7-5-11-13-4-3-8(10-2)12-9(7)13/h3-5H,1-2H3,(H,10,12)
InChIKeyVXVHOSKUKJNXSN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.97
Rot. Bonds2

About 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 90867694) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID90867694
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1ccn2ncc(C(C)=O)c2n1
InChIInChI=1S/C9H10N4O/c1-6(14)7-5-11-13-4-3-8(10-2)12-9(7)13/h3-5H,1-2H3,(H,10,12)
InChIKeyVXVHOSKUKJNXSN-UHFFFAOYSA-N
XLogP0.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 90867694) is 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CNc1ccn2ncc(C(C)=O)c2n1.
What is the InChIKey of 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is VXVHOSKUKJNXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(14)7-5-11-13-4-3-8(10-2)12-9(7)13/h3-5H,1-2H3,(H,10,12).
What are the key properties of 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 190.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 90867694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).