N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H16F3N3O3 — CID 5299210

IUPACN-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16F3N3O3/c1-4-21-10(8-13(20-21)15(16,17)18)14(22)19-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H,19,22)
InChIKeyUZOKHWYGSRUVPD-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.19
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 5299210) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID5299210
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H16F3N3O3/c1-4-21-10(8-13(20-21)15(16,17)18)14(22)19-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H,19,22)
InChIKeyUZOKHWYGSRUVPD-UHFFFAOYSA-N
XLogP3.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
methyl 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 121210591
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 46969513
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70788095
N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
CID 110691494
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 5299210) is N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UZOKHWYGSRUVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-4-21-10(8-13(20-21)15(16,17)18)14(22)19-9-5-6-11(23-2)12(7-9)24-3/h5-8H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5299210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).