1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

C11H14N4O — CID 154574833

IUPAC1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCCNc1ccn2ncc(C(=O)CC)c2n1
InChIInChI=1S/C11H14N4O/c1-3-9(16)8-7-13-15-6-5-10(12-4-2)14-11(8)15/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyWCWSZFRPDUOFAZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds4

About 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (PubChem CID 154574833) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
PubChem CID154574833
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
SMILESCCNc1ccn2ncc(C(=O)CC)c2n1
InChIInChI=1S/C11H14N4O/c1-3-9(16)8-7-13-15-6-5-10(12-4-2)14-11(8)15/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyWCWSZFRPDUOFAZ-UHFFFAOYSA-N
XLogP1.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
2-methyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134793074
5-(2-Fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 58196754
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 117816815
1-(2-Amino-6-fluoropyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 118137331
5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
CID 139552841
5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
CID 139553886
3-[1-[(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-5-fluoro-1H-pyridin-2-one
CID 160927605
N-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253333
2-(Methylamino)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 84805966
3-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 84805967
2-Amino-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 84805968

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The IUPAC name of 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (CID 154574833) is 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The canonical SMILES for 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is CCNc1ccn2ncc(C(=O)CC)c2n1.
What is the InChIKey of 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
The InChIKey is WCWSZFRPDUOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-9(16)8-7-13-15-6-5-10(12-4-2)14-11(8)15/h5-7H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?
1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one has a molecular weight of 218.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is sourced from PubChem (CID 154574833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).