N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide

C16H18F3N3O2 — CID 19469039

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2cccc(OCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C16H18F3N3O2/c1-10(14-8-20-22(3)11(14)2)21-15(23)12-5-4-6-13(7-12)24-9-16(17,18)19/h4-8,10H,9H2,1-3H3,(H,21,23)
InChIKeyDPQUKNIGEJWYGJ-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.16
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19469039) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19469039
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2cccc(OCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C16H18F3N3O2/c1-10(14-8-20-22(3)11(14)2)21-15(23)12-5-4-6-13(7-12)24-9-16(17,18)19/h4-8,10H,9H2,1-3H3,(H,21,23)
InChIKeyDPQUKNIGEJWYGJ-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19469059
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19329009
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]naphthalene-2-carboxamide
CID 59544180
3-pyridin-2-yloxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290691
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 30766061
N-[(1R)-1-[6-methyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethoxy)benzamide
CID 87342094
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 19469039) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide is Cc1c(C(C)NC(=O)c2cccc(OCC(F)(F)F)c2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DPQUKNIGEJWYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10(14-8-20-22(3)11(14)2)21-15(23)12-5-4-6-13(7-12)24-9-16(17,18)19/h4-8,10H,9H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 341.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).