3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide

C19H18FN3O3 — CID 46920339

IUPAC3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)[nH]n2)c(OC)c1
InChIInChI=1S/C19H18FN3O3/c1-11-4-5-12(20)8-15(11)21-19(24)17-10-16(22-23-17)14-7-6-13(25-2)9-18(14)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyCTCQLJSVADAQTB-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.79
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920339) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920339
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)[nH]n2)c(OC)c1
InChIInChI=1S/C19H18FN3O3/c1-11-4-5-12(20)8-15(11)21-19(24)17-10-16(22-23-17)14-7-6-13(25-2)9-18(14)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyCTCQLJSVADAQTB-UHFFFAOYSA-N
XLogP3.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 46920339) is 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)[nH]n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CTCQLJSVADAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-4-5-12(20)8-15(11)21-19(24)17-10-16(22-23-17)14-7-6-13(25-2)9-18(14)26-3/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).