N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide

C18H16FN3O2 — CID 71934131

IUPACN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(20-17(23)13-7-4-3-5-8-13)18(22(2)21-12)24-15-10-6-9-14(19)11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyAVCXVGOXDYPGMF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.91
Rot. Bonds4

About N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide (PubChem CID 71934131) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
PubChem CID71934131
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(20-17(23)13-7-4-3-5-8-13)18(22(2)21-12)24-15-10-6-9-14(19)11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyAVCXVGOXDYPGMF-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
CID 71934124
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 54541897
[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966246
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-2-methylpyrazole-3-carboxamide
CID 71933936
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63072327
3-(1,3-dimethyl-4-nitropyrazol-5-yl)oxybenzoic acid
CID 61395592
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86781581
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
N-cyclopropyl-3-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069802
[(E)-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methylideneamino] 2-chloropyridine-3-carboxylate
CID 172930058
3-[2-nitro-4-(trifluoromethyl)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 38113196

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide (CID 71934131) is N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide is Cc1nn(C)c(Oc2cccc(F)c2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The InChIKey is AVCXVGOXDYPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-16(20-17(23)13-7-4-3-5-8-13)18(22(2)21-12)24-15-10-6-9-14(19)11-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 71934131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).