1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C9H10N4O — CID 133054413

IUPAC1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1nn2cccnc2c1C(C)=O
InChIInChI=1S/C9H10N4O/c1-6(14)7-8(10-2)12-13-5-3-4-11-9(7)13/h3-5H,1-2H3,(H,10,12)
InChIKeyKTCUEIWSTVJBKX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.97
Rot. Bonds2

About 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 133054413) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID133054413
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1nn2cccnc2c1C(C)=O
InChIInChI=1S/C9H10N4O/c1-6(14)7-8(10-2)12-13-5-3-4-11-9(7)13/h3-5H,1-2H3,(H,10,12)
InChIKeyKTCUEIWSTVJBKX-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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Related Compounds

2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 122516643
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
N-[(2-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111471418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 133054413) is 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CNc1nn2cccnc2c1C(C)=O.
What is the InChIKey of 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is KTCUEIWSTVJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(14)7-8(10-2)12-13-5-3-4-11-9(7)13/h3-5H,1-2H3,(H,10,12).
What are the key properties of 1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[2-(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-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 133054413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).