1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide

C10H15FN4O — CID 154637394

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(C/C(=C/F)CN)n1
InChIInChI=1S/C10H15FN4O/c1-2-13-10(16)9-3-4-15(14-9)7-8(5-11)6-12/h3-5H,2,6-7,12H2,1H3,(H,13,16)/b8-5+
InChIKeyGNSWMNZXWIMDSI-VMPITWQZSA-N
MW226.25 g/mol
LogP0.44
Rot. Bonds5

About 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide (PubChem CID 154637394) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide
PubChem CID154637394
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(C/C(=C/F)CN)n1
InChIInChI=1S/C10H15FN4O/c1-2-13-10(16)9-3-4-15(14-9)7-8(5-11)6-12/h3-5H,2,6-7,12H2,1H3,(H,13,16)/b8-5+
InChIKeyGNSWMNZXWIMDSI-VMPITWQZSA-N
XLogP0.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide (CID 154637394) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide is CCNC(=O)c1ccn(C/C(=C/F)CN)n1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide?
The InChIKey is GNSWMNZXWIMDSI-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-2-13-10(16)9-3-4-15(14-9)7-8(5-11)6-12/h3-5H,2,6-7,12H2,1H3,(H,13,16)/b8-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 154637394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).