N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H16F3N3O3 — CID 19508228

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-8(10-6-9(23-2)4-5-12(10)24-3)19-14(22)11-7-13(21-20-11)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyOHHCTEIFDIPNPR-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508228) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508228
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C15H16F3N3O3/c1-8(10-6-9(23-2)4-5-12(10)24-3)19-14(22)11-7-13(21-20-11)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21)
InChIKeyOHHCTEIFDIPNPR-UHFFFAOYSA-N
XLogP2.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449415
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479909
1-tert-butyl-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 52908939
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9477196

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508228) is N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OHHCTEIFDIPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-8(10-6-9(23-2)4-5-12(10)24-3)19-14(22)11-7-13(21-20-11)15(16,17)18/h4-8H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).