4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H14F3N3O2 — CID 166381537

IUPAC4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc2cc(-c3c(C(F)(F)F)nn(C)c3C(N)=O)ccc2c1
InChIInChI=1S/C17H14F3N3O2/c1-23-14(16(21)24)13(15(22-23)17(18,19)20)11-4-3-10-8-12(25-2)6-5-9(10)7-11/h3-8H,1-2H3,(H2,21,24)
InChIKeyHHPNVZGXBZYIGE-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.37
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166381537) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166381537
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc2cc(-c3c(C(F)(F)F)nn(C)c3C(N)=O)ccc2c1
InChIInChI=1S/C17H14F3N3O2/c1-23-14(16(21)24)13(15(22-23)17(18,19)20)11-4-3-10-8-12(25-2)6-5-9(10)7-11/h3-8H,1-2H3,(H2,21,24)
InChIKeyHHPNVZGXBZYIGE-UHFFFAOYSA-N
XLogP3.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
CID 6874805
(6-methoxy-2-naphthyl){1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}methanone
CID 16190259
3-[[4-[(1S)-1-[5-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 60170968
3-[[4-[1-[5-(6-Methoxynaphthalen-2-yl)-4-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 145968045
3-[[4-[1-[5-(6-Methoxynaphthalen-2-yl)-4-methyl-3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 145969316
2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic Acid {3-[(cyclopropylmethyl-amino)-(6-methoxy-naphthalen-2-yl)-methyl]-phenyl}-amide
CID 118356181
N-((2-methoxynaphthalen-1-yl)methyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880199
3-(3-methoxyphenyl)-1-methyl-N-(2-(trifluoromethoxy)benzyl)-1H-pyrazole-5-carboxamide
CID 49677377
5-methyl-1-(naphthalen-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 177643038
N-{2-[2-(2,4-Dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-4-methoxy-2-methylbenzamide
CID 91892779
3-(3-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 49670738
3-(3-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4329302

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166381537) is 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc2cc(-c3c(C(F)(F)F)nn(C)c3C(N)=O)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is HHPNVZGXBZYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23-14(16(21)24)13(15(22-23)17(18,19)20)11-4-3-10-8-12(25-2)6-5-9(10)7-11/h3-8H,1-2H3,(H2,21,24).
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166381537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).