N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H18F4N4O3 — CID 55692824

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C24H18F4N4O3/c1-34-20-14-32(18-8-2-6-16(11-18)24(26,27)28)31-21(20)22(33)30-13-15-5-4-10-29-23(15)35-19-9-3-7-17(25)12-19/h2-12,14H,13H2,1H3,(H,30,33)
InChIKeyZYBOEEKYIFCUET-UHFFFAOYSA-N
MW486.43 g/mol
LogP5.16
Rot. Bonds7

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55692824) has the molecular formula C24H18F4N4O3 and a molecular weight of 486.43 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55692824
Molecular FormulaC24H18F4N4O3
Molecular Weight486.43 g/mol
Exact Mass486.13
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C24H18F4N4O3/c1-34-20-14-32(18-8-2-6-16(11-18)24(26,27)28)31-21(20)22(33)30-13-15-5-4-10-29-23(15)35-19-9-3-7-17(25)12-19/h2-12,14H,13H2,1H3,(H,30,33)
InChIKeyZYBOEEKYIFCUET-UHFFFAOYSA-N
XLogP5.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55613810
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55577176
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
4-methoxy-N-quinolin-8-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624522
4-methoxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56577484
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624365
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55692824) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ZYBOEEKYIFCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O3/c1-34-20-14-32(18-8-2-6-16(11-18)24(26,27)28)31-21(20)22(33)30-13-15-5-4-10-29-23(15)35-19-9-3-7-17(25)12-19/h2-12,14H,13H2,1H3,(H,30,33).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 486.43 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55692824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).