5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

C19H18FN3O3 — CID 110674172

IUPAC5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(F)cc3)nn2C)c1
InChIInChI=1S/C19H18FN3O3/c1-23-17(15-10-14(25-2)8-9-18(15)26-3)11-16(22-23)19(24)21-13-6-4-12(20)5-7-13/h4-11H,1-3H3,(H,21,24)
InChIKeyYFGKNMKAVVLUTB-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.50
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110674172) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110674172
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(F)cc3)nn2C)c1
InChIInChI=1S/C19H18FN3O3/c1-23-17(15-10-14(25-2)8-9-18(15)26-3)11-16(22-23)19(24)21-13-6-4-12(20)5-7-13/h4-11H,1-3H3,(H,21,24)
InChIKeyYFGKNMKAVVLUTB-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 154693169

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 110674172) is 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(F)cc3)nn2C)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YFGKNMKAVVLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-23-17(15-10-14(25-2)8-9-18(15)26-3)11-16(22-23)19(24)21-13-6-4-12(20)5-7-13/h4-11H,1-3H3,(H,21,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110674172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).