N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

C19H19N3O2 — CID 110685989

IUPACN-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-19(23)18-13-14(2)21-22(18)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyZURVGUANRNKOGR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.83
Rot. Bonds5

About N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 110685989) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID110685989
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-19(23)18-13-14(2)21-22(18)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyZURVGUANRNKOGR-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
5-(cyclopropanecarbonylamino)-N-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 51998569
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771
N-(4-ethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092214
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(4-bromophenyl)-1-phenylpyrazole-5-carboxamide
CID 178135282
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (CID 110685989) is N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is CCOc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is ZURVGUANRNKOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-19(23)18-13-14(2)21-22(18)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110685989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).