N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide

C20H19F2N3O — CID 55521664

IUPACN-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C20H19F2N3O/c1-3-24(13-15-7-6-8-16(21)11-15)20(26)17-12-23-25(14(17)2)19-10-5-4-9-18(19)22/h4-12H,3,13H2,1-2H3
InChIKeyRIQHKOIEEKXSBN-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.12
Rot. Bonds5

About N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide

N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 55521664) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID55521664
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C20H19F2N3O/c1-3-24(13-15-7-6-8-16(21)11-15)20(26)17-12-23-25(14(17)2)19-10-5-4-9-18(19)22/h4-12H,3,13H2,1-2H3
InChIKeyRIQHKOIEEKXSBN-UHFFFAOYSA-N
XLogP4.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521016
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112817204
1-(2-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 71850172
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51073091
N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 171547530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide (CID 55521664) is N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is RIQHKOIEEKXSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-3-24(13-15-7-6-8-16(21)11-15)20(26)17-12-23-25(14(17)2)19-10-5-4-9-18(19)22/h4-12H,3,13H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide?
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55521664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).