N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide

C25H17F9N4O3 — CID 139628081

IUPACN-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
SMILESO=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(OC(F)(F)F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H17F9N4O3/c26-23(27,28)15-3-10-20(35-11-15)19-12-38(37-22(19)14-1-6-17(7-2-14)40-24(29,30)31)13-21(39)36-16-4-8-18(9-5-16)41-25(32,33)34/h1-11,19H,12-13H2,(H,36,39)
InChIKeyMWPVYCQFSHEVBO-UHFFFAOYSA-N
MW592.42 g/mol
LogP6.34
Rot. Bonds7

About N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide

N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide (PubChem CID 139628081) has the molecular formula C25H17F9N4O3 and a molecular weight of 592.42 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
PubChem CID139628081
Molecular FormulaC25H17F9N4O3
Molecular Weight592.42 g/mol
Exact Mass592.12
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
SMILESO=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(OC(F)(F)F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H17F9N4O3/c26-23(27,28)15-3-10-20(35-11-15)19-12-38(37-22(19)14-1-6-17(7-2-14)40-24(29,30)31)13-21(39)36-16-4-8-18(9-5-16)41-25(32,33)34/h1-11,19H,12-13H2,(H,36,39)
InChIKeyMWPVYCQFSHEVBO-UHFFFAOYSA-N
XLogP6.34
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.42
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628072
2-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628110
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628114
2-[4-[ethyl(methyl)amino]-5-(4-propoxyphenyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 139633805
methyl N-[5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-3,4-dihydropyrazol-4-yl]-N-prop-2-ynylcarbamate
CID 139633786
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-2-carboxamide
CID 19791322
5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(4-pyridin-2-ylpiperidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 68873568
ethyl 5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-4-[4-(trifluoromethoxy)phenyl]-3H-pyrazole-4-carboxylate
CID 139656873

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide (CID 139628081) is N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide is O=C(CN1CC(c2ccc(C(F)(F)F)cn2)C(c2ccc(OC(F)(F)F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
The InChIKey is MWPVYCQFSHEVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F9N4O3/c26-23(27,28)15-3-10-20(35-11-15)19-12-38(37-22(19)14-1-6-17(7-2-14)40-24(29,30)31)13-21(39)36-16-4-8-18(9-5-16)41-25(32,33)34/h1-11,19H,12-13H2,(H,36,39).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide?
N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide has a molecular weight of 592.42 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 139628081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).