N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide

C19H18FN3O3 — CID 5295682

IUPACN-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H18FN3O3/c1-12-9-18(23(22-12)15-6-4-5-14(20)11-15)21-19(24)13-7-8-16(25-2)17(10-13)26-3/h4-11H,1-3H3,(H,21,24)
InChIKeyDEWUKLMBHWUTJW-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide

N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 5295682) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
PubChem CID5295682
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H18FN3O3/c1-12-9-18(23(22-12)15-6-4-5-14(20)11-15)21-19(24)13-7-8-16(25-2)17(10-13)26-3/h4-11H,1-3H3,(H,21,24)
InChIKeyDEWUKLMBHWUTJW-UHFFFAOYSA-N
XLogP3.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide (CID 5295682) is N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(F)c2)cc1OC.
What is the InChIKey of N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is DEWUKLMBHWUTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-9-18(23(22-12)15-6-4-5-14(20)11-15)21-19(24)13-7-8-16(25-2)17(10-13)26-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 355.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 5295682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).