N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide

C13H14FN3O2 — CID 134714010

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1F
InChIInChI=1S/C13H14FN3O2/c1-8-11(7-17(2)16-8)15-13(18)9-4-5-12(19-3)10(14)6-9/h4-7H,1-3H3,(H,15,18)
InChIKeyDEGUTIZOHZLWIW-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.13
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide

N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 134714010) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
PubChem CID134714010
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1F
InChIInChI=1S/C13H14FN3O2/c1-8-11(7-17(2)16-8)15-13(18)9-4-5-12(19-3)10(14)6-9/h4-7H,1-3H3,(H,15,18)
InChIKeyDEGUTIZOHZLWIW-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide (CID 134714010) is N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cn(C)nc2C)cc1F.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is DEGUTIZOHZLWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-11(7-17(2)16-8)15-13(18)9-4-5-12(19-3)10(14)6-9/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide?
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 263.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 134714010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).