N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide

C13H15FN4O — CID 104592785

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2nn(C)cc2CN)ccc1F
InChIInChI=1S/C13H15FN4O/c1-8-5-9(3-4-11(8)14)13(19)16-12-10(6-15)7-18(2)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,17,19)
InChIKeyMRAMIBBZDSGFFA-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.58
Rot. Bonds3

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide (PubChem CID 104592785) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
PubChem CID104592785
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2nn(C)cc2CN)ccc1F
InChIInChI=1S/C13H15FN4O/c1-8-5-9(3-4-11(8)14)13(19)16-12-10(6-15)7-18(2)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,17,19)
InChIKeyMRAMIBBZDSGFFA-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 104592677
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrimidine-5-carboxamide
CID 102921219
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 104592792
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040762
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801083
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 166362384
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylimidazole-4-carboxamide
CID 103510244
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 104592838
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 104593006
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115913
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide (CID 104592785) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2nn(C)cc2CN)ccc1F.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide?
The InChIKey is MRAMIBBZDSGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-5-9(3-4-11(8)14)13(19)16-12-10(6-15)7-18(2)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 104592785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).