1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide

C13H15FN4O — CID 106531169

IUPAC1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNCc1cc(F)cc(-n2ccc(C(=O)NC)n2)c1
InChIInChI=1S/C13H15FN4O/c1-15-8-9-5-10(14)7-11(6-9)18-4-3-12(17-18)13(19)16-2/h3-7,15H,8H2,1-2H3,(H,16,19)
InChIKeyGXXRYPMRBYRIND-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.09
Rot. Bonds4

About 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide

1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 106531169) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID106531169
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNCc1cc(F)cc(-n2ccc(C(=O)NC)n2)c1
InChIInChI=1S/C13H15FN4O/c1-15-8-9-5-10(14)7-11(6-9)18-4-3-12(17-18)13(19)16-2/h3-7,15H,8H2,1-2H3,(H,16,19)
InChIKeyGXXRYPMRBYRIND-UHFFFAOYSA-N
XLogP1.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
CID 106531142
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 156852836
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782681
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 64780236
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64781324
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64782095
1-[4-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 107275116
1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780996
N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106533150
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 79170438

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 106531169) is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide is CNCc1cc(F)cc(-n2ccc(C(=O)NC)n2)c1.
What is the InChIKey of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is GXXRYPMRBYRIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-15-8-9-5-10(14)7-11(6-9)18-4-3-12(17-18)13(19)16-2/h3-7,15H,8H2,1-2H3,(H,16,19).
What are the key properties of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106531169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).