1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide

C12H13FN4O — CID 64782681

IUPAC1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
SMILESCNCc1ccc(-n2ccc(C(N)=O)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-15-7-8-2-3-11(9(13)6-8)17-5-4-10(16-17)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18)
InChIKeyJDEDNYOTFYSKPS-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.83
Rot. Bonds4

About 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide

1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 64782681) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
PubChem CID64782681
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
SMILESCNCc1ccc(-n2ccc(C(N)=O)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-15-7-8-2-3-11(9(13)6-8)17-5-4-10(16-17)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18)
InChIKeyJDEDNYOTFYSKPS-UHFFFAOYSA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]pyrazole-3-carboxamide
CID 64780589
1-(4-carbamothioyl-2-fluorophenyl)pyrazole-3-carboxamide
CID 64781527
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780213
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
1-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,4-triazole-3-carbonitrile
CID 55155438
1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 82999798
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 106531169
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide
CID 64780771
1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
CID 64780381

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide (CID 64782681) is 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide is CNCc1ccc(-n2ccc(C(N)=O)n2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is JDEDNYOTFYSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-15-7-8-2-3-11(9(13)6-8)17-5-4-10(16-17)12(14)18/h2-6,15H,7H2,1H3,(H2,14,18).
What are the key properties of 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide?
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64782681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).