N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide

C14H16FN3O2 — CID 103860981

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-5-4-11(20-3)6-13(12)15/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyQOCZVLAXUWBDSW-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.81
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide (PubChem CID 103860981) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
PubChem CID103860981
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-5-4-11(20-3)6-13(12)15/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyQOCZVLAXUWBDSW-UHFFFAOYSA-N
XLogP1.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 102884080
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 79524203
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
4-[[(2-bromo-4-methoxybenzoyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 166369316
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide (CID 103860981) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2cnn(C)c2C)c(F)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is QOCZVLAXUWBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-10(8-17-18(9)2)7-16-14(19)12-5-4-11(20-3)6-13(12)15/h4-6,8H,7H2,1-3H3,(H,16,19).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 277.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103860981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).