N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C13H14FN3O — CID 110685754

IUPACN-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nn1C
InChIInChI=1S/C13H14FN3O/c1-9-7-12(16-17(9)2)13(18)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyMLRHCQBWZTWOFO-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.80
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 110685754) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID110685754
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)nn1C
InChIInChI=1S/C13H14FN3O/c1-9-7-12(16-17(9)2)13(18)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyMLRHCQBWZTWOFO-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35762734
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 110390740
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
1-tert-butyl-N-[(2-fluorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 46486795
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
N-[(2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 8870889
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 110685754) is N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2F)nn1C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MLRHCQBWZTWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-7-12(16-17(9)2)13(18)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).