N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

C24H25F3N4O3 — CID 46833075

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(7-8-28-30)20-16-19(5-6-22(20)34-14-11-31-9-12-33-13-10-31)29-23(32)17-3-2-4-18(15-17)24(25,26)27/h2-8,15-16H,9-14H2,1H3,(H,29,32)
InChIKeyLJEPLYOCNVFFJU-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.07
Rot. Bonds7

About N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46833075) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46833075
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(7-8-28-30)20-16-19(5-6-22(20)34-14-11-31-9-12-33-13-10-31)29-23(32)17-3-2-4-18(15-17)24(25,26)27/h2-8,15-16H,9-14H2,1H3,(H,29,32)
InChIKeyLJEPLYOCNVFFJU-UHFFFAOYSA-N
XLogP4.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Temanogrel
CID 25177971
[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 11612277
1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45486696
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-(3,5-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486727
N-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-fluoro-benzamide
CID 46833074
N-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70696850
1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-fluorophenyl)urea
CID 45486732

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 46833075) is N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LJEPLYOCNVFFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-30-21(7-8-28-30)20-16-19(5-6-22(20)34-14-11-31-9-12-33-13-10-31)29-23(32)17-3-2-4-18(15-17)24(25,26)27/h2-8,15-16H,9-14H2,1H3,(H,29,32).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46833075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).