1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide

C26H24F2N4O2 — CID 55957127

IUPAC1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C26H24F2N4O2/c1-16(19-7-6-9-22(13-19)34-15-21-8-4-5-12-29-21)30-26(33)25-17(2)31-32(18(25)3)24-11-10-20(27)14-23(24)28/h4-14,16H,15H2,1-3H3,(H,30,33)
InChIKeyXGFXSDSMHADXLU-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.23
Rot. Bonds7

About 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide

1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 55957127) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID55957127
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C26H24F2N4O2/c1-16(19-7-6-9-22(13-19)34-15-21-8-4-5-12-29-21)30-26(33)25-17(2)31-32(18(25)3)24-11-10-20(27)14-23(24)28/h4-14,16H,15H2,1-3H3,(H,30,33)
InChIKeyXGFXSDSMHADXLU-UHFFFAOYSA-N
XLogP5.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide (CID 55957127) is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC(C)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is XGFXSDSMHADXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-16(19-7-6-9-22(13-19)34-15-21-8-4-5-12-29-21)30-26(33)25-17(2)31-32(18(25)3)24-11-10-20(27)14-23(24)28/h4-14,16H,15H2,1-3H3,(H,30,33).
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55957127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).