N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide

C26H28ClF3N4O3 — CID 66927919

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOC1CCN(CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2c(Cl)cnn2C)CC1
InChIInChI=1S/C26H28ClF3N4O3/c1-33-24(22(27)16-31-33)21-15-19(32-25(35)17-4-3-5-18(14-17)26(28,29)30)6-7-23(21)37-13-12-34-10-8-20(36-2)9-11-34/h3-7,14-16,20H,8-13H2,1-2H3,(H,32,35)
InChIKeyBEEWYTFNUFHWPX-UHFFFAOYSA-N
MW536.98 g/mol
LogP5.50
Rot. Bonds8

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 66927919) has the molecular formula C26H28ClF3N4O3 and a molecular weight of 536.98 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID66927919
Molecular FormulaC26H28ClF3N4O3
Molecular Weight536.98 g/mol
Exact Mass536.18
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOC1CCN(CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2c(Cl)cnn2C)CC1
InChIInChI=1S/C26H28ClF3N4O3/c1-33-24(22(27)16-31-33)21-15-19(32-25(35)17-4-3-5-18(14-17)26(28,29)30)6-7-23(21)37-13-12-34-10-8-20(36-2)9-11-34/h3-7,14-16,20H,8-13H2,1-2H3,(H,32,35)
InChIKeyBEEWYTFNUFHWPX-UHFFFAOYSA-N
XLogP5.50
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.98
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(4-chloro-1-methylpyrazol-5-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]piperazine-1-carboxylic acid;N-methylmethanamine
CID 69492655
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927775
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982
N-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928204
N-[3-(2-methylpyrazol-3-yl)-4-[2-[4-(2-oxoethyl)piperazin-1-yl]ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 91385964
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
CID 66928508
N-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928410
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 67193233
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide (CID 66927919) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide is COC1CCN(CCOc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2-c2c(Cl)cnn2C)CC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BEEWYTFNUFHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N4O3/c1-33-24(22(27)16-31-33)21-15-19(32-25(35)17-4-3-5-18(14-17)26(28,29)30)6-7-23(21)37-13-12-34-10-8-20(36-2)9-11-34/h3-7,14-16,20H,8-13H2,1-2H3,(H,32,35).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 536.98 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66927919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).