1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide

C13H15FN4O — CID 64780581

IUPAC1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(F)c2C(C)N)n1
InChIInChI=1S/C13H15FN4O/c1-8(15)12-9(14)4-3-5-11(12)18-7-6-10(17-18)13(19)16-2/h3-8H,15H2,1-2H3,(H,16,19)
InChIKeyLHBQPLVBGHGUCY-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide

1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 64780581) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
PubChem CID64780581
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cccc(F)c2C(C)N)n1
InChIInChI=1S/C13H15FN4O/c1-8(15)12-9(14)4-3-5-11(12)18-7-6-10(17-18)13(19)16-2/h3-8H,15H2,1-2H3,(H,16,19)
InChIKeyLHBQPLVBGHGUCY-UHFFFAOYSA-N
XLogP1.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 3299137
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide
CID 3091786
Ab-chfupyca
CID 122213879
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
2-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723780
3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723781
4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723782
N-(2-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850907
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide (CID 64780581) is 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cccc(F)c2C(C)N)n1.
What is the InChIKey of 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is LHBQPLVBGHGUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8(15)12-9(14)4-3-5-11(12)18-7-6-10(17-18)13(19)16-2/h3-8H,15H2,1-2H3,(H,16,19).
What are the key properties of 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide?
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).