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

C24H25F3N4O3 — CID 11503810

IUPACN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(8-9-28-30)20-16-19(6-7-22(20)34-15-12-31-10-13-33-14-11-31)29-23(32)17-2-4-18(5-3-17)24(25,26)27/h2-9,16H,10-15H2,1H3,(H,29,32)
InChIKeyHQUFWKLMOPWCFI-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.07
Rot. Bonds7

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

N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 11503810) 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]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID11503810
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O3/c1-30-21(8-9-28-30)20-16-19(6-7-22(20)34-15-12-31-10-13-33-14-11-31)29-23(32)17-2-4-18(5-3-17)24(25,26)27/h2-9,16H,10-15H2,1H3,(H,29,32)
InChIKeyHQUFWKLMOPWCFI-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 11503810) is N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HQUFWKLMOPWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-30-21(8-9-28-30)20-16-19(6-7-22(20)34-15-12-31-10-13-33-14-11-31)29-23(32)17-2-4-18(5-3-17)24(25,26)27/h2-9,16H,10-15H2,1H3,(H,29,32).
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-(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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11503810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).