2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one

C10H13FN4O — CID 154637386

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(n1)CCNC2=O
InChIInChI=1S/C10H13FN4O/c11-3-7(4-12)5-15-6-8-9(14-15)1-2-13-10(8)16/h3,6H,1-2,4-5,12H2,(H,13,16)/b7-3+
InChIKeyWTULXAAMGKWQFX-XVNBXDOJSA-N
MW224.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637386) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID154637386
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1cc2c(n1)CCNC2=O
InChIInChI=1S/C10H13FN4O/c11-3-7(4-12)5-15-6-8-9(14-15)1-2-13-10(8)16/h3,6H,1-2,4-5,12H2,(H,13,16)/b7-3+
InChIKeyWTULXAAMGKWQFX-XVNBXDOJSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one with MolForge

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Related Compounds

4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-2-one
CID 45830695
2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
2-(2-oxo-2-piperazin-1-ylethyl)-6,7-dihydro-5H-indazol-4-one
CID 166635651
1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridin-4-one hydrochloride
CID 154853251
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99778581
N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669803
(4-ethylpiperazino)(5-isopropyl-1-methyl-1H-pyrazol-4-yl)methanone
CID 42669804
N-Ethyl-1-methyl-5-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669806
1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669808
1-tert-butyl-N,5-diethyl-1H-pyrazole-4-carboxamide
CID 42669810
N-cyclopropyl-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42818255
5-(acetamidomethyl)-N-(2-sulfanylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 177679835

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (CID 154637386) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is NC/C(=C\F)Cn1cc2c(n1)CCNC2=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is WTULXAAMGKWQFX-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H13FN4O/c11-3-7(4-12)5-15-6-8-9(14-15)1-2-13-10(8)16/h3,6H,1-2,4-5,12H2,(H,13,16)/b7-3+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 224.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).