N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide

C20H20FN3O2 — CID 99812912

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20FN3O2/c1-4-26-19-16(11-8-12-17(19)21)20(25)22-18-13(2)23-24(14(18)3)15-9-6-5-7-10-15/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyKKWWRKYWDUBNCX-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.28
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide (PubChem CID 99812912) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
PubChem CID99812912
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20FN3O2/c1-4-26-19-16(11-8-12-17(19)21)20(25)22-18-13(2)23-24(14(18)3)15-9-6-5-7-10-15/h5-12H,4H2,1-3H3,(H,22,25)
InChIKeyKKWWRKYWDUBNCX-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
2-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-methyl-3-nitrobenzamide
CID 51275512
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
(E)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 18227803
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78892766
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16575231
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide (CID 99812912) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide is CCOc1c(F)cccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide?
The InChIKey is KKWWRKYWDUBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-4-26-19-16(11-8-12-17(19)21)20(25)22-18-13(2)23-24(14(18)3)15-9-6-5-7-10-15/h5-12H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide has a molecular weight of 353.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-ethoxy-3-fluorobenzamide is sourced from PubChem (CID 99812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).