1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide

C12H13FN4O — CID 64781708

IUPAC1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(F)cc2CN)n1
InChIInChI=1S/C12H13FN4O/c1-15-12(18)10-4-5-17(16-10)11-3-2-9(13)6-8(11)7-14/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyGIJUVCGHVCDRTF-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.83
Rot. Bonds3

About 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide

1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 64781708) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
PubChem CID64781708
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(F)cc2CN)n1
InChIInChI=1S/C12H13FN4O/c1-15-12(18)10-4-5-17(16-10)11-3-2-9(13)6-8(11)7-14/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyGIJUVCGHVCDRTF-UHFFFAOYSA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide (CID 64781708) is 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(F)cc2CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is GIJUVCGHVCDRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-15-12(18)10-4-5-17(16-10)11-3-2-9(13)6-8(11)7-14/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide?
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64781708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).