N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide

C15H18FN3O — CID 115887147

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H18FN3O/c1-4-13-11(9-19(3)18-13)8-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyYCVDBROTIQAESR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 115887147) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID115887147
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C15H18FN3O/c1-4-13-11(9-19(3)18-13)8-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyYCVDBROTIQAESR-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 105387234
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 75399289
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 115888739
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide (CID 115887147) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide is CCc1nn(C)cc1CNC(=O)c1cccc(C)c1F.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is YCVDBROTIQAESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-13-11(9-19(3)18-13)8-17-15(20)12-7-5-6-10(2)14(12)16/h5-7,9H,4,8H2,1-3H3,(H,17,20).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 275.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 115887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).