1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one

C12H15FN4O — CID 154983936

IUPAC1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ccc2c(cnn2CC(=CF)CN)c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3
InChIKeyZLLQOMOPQHSBTO-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.03
Rot. Bonds4

About 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one

1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 154983936) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
PubChem CID154983936
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ccc2c(cnn2CC(=CF)CN)c1=O
InChIInChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3
InChIKeyZLLQOMOPQHSBTO-UHFFFAOYSA-N
XLogP1.03
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 168272756
5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134790046
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 41416719
3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 72843899
5-methyl-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 72907527
5-methyl-N-(1-methylpyridazin-4-ylidene)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 56644804
1-[(E)-3,3-dimethyl-4-(methylamino)-4-oxobut-1-enyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 70909224
1-tert-butyl-N-ethyl-5-(fluoromethyl)pyrazole-4-carboxamide
CID 70952080
[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 84083101
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 89018336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one (CID 154983936) is 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one is CCn1ccc2c(cnn2CC(=CF)CN)c1=O.
What is the InChIKey of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is ZLLQOMOPQHSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-2-16-4-3-11-10(12(16)18)7-15-17(11)8-9(5-13)6-14/h3-5,7H,2,6,8,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one?
1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 250.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-5-ethylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 154983936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).