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

C13H15FN4O — CID 154637429

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1ncc2c(=O)n(C3CC3)ccc21
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2/b9-5+
InChIKeyGODAVMANILJJSA-WEVVVXLNSA-N
MW262.29 g/mol
LogP1.35
Rot. Bonds4

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

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 154637429) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
PubChem CID154637429
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one
SMILESNC/C(=C\F)Cn1ncc2c(=O)n(C3CC3)ccc21
InChIInChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2/b9-5+
InChIKeyGODAVMANILJJSA-WEVVVXLNSA-N
XLogP1.35
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 168272756
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 41416719
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
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 89018336
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90178852
3-methyl-1-(1-methyliminobut-2-en-2-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 123499443
N-cyclopropyl-5-(difluoromethyl)-1-propa-1,2-dienylpyrazole-4-carboxamide
CID 134168142
N-cyclopropyl-1-propa-1,2-dienyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134168145
N-cyclopropyl-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 139028816
3-(difluoromethyl)-N-(2,3-dihydro-1H-azepin-5-yl)-1-methylpyrazole-4-carboxamide
CID 143664094
N-(2,2-difluoroethyl)-3-methyl-1-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carboxamide
CID 144169557

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one (CID 154637429) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one is NC/C(=C\F)Cn1ncc2c(=O)n(C3CC3)ccc21.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is GODAVMANILJJSA-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-5-9(6-15)8-18-12-3-4-17(10-1-2-10)13(19)11(12)7-16-18/h3-5,7,10H,1-2,6,8,15H2/b9-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 262.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-cyclopropylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 154637429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).