N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

C26H31F2N3O3 — CID 51066694

IUPACN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C26H31F2N3O3/c1-7-23-21(15-30(17(4)5)25(32)16(2)3)26(34-24-13-8-18(27)14-22(24)28)31(29-23)19-9-11-20(33-6)12-10-19/h8-14,16-17H,7,15H2,1-6H3
InChIKeyGOOPRYFIYWFOBR-UHFFFAOYSA-N
MW471.55 g/mol
LogP5.91
Rot. Bonds9

About N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 51066694) has the molecular formula C26H31F2N3O3 and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID51066694
Molecular FormulaC26H31F2N3O3
Molecular Weight471.55 g/mol
Exact Mass471.23
IUPAC NameN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C26H31F2N3O3/c1-7-23-21(15-30(17(4)5)25(32)16(2)3)26(34-24-13-8-18(27)14-22(24)28)31(29-23)19-9-11-20(33-6)12-10-19/h8-14,16-17H,7,15H2,1-6H3
InChIKeyGOOPRYFIYWFOBR-UHFFFAOYSA-N
XLogP5.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-propan-2-ylcyclobutanecarboxamide
CID 51068613
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 51066691
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51068945
1-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-propylurea
CID 93135718
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51068939
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042659
(2S)-1-[[3-ethyl-5-(2-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-propylamino]propan-2-ol
CID 93217859
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46140392
(2S)-1-[[3-ethyl-5-(2-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-propylamino]-3-methylbutan-2-ol
CID 93217853
3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417
3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042576
(2R)-1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]-3-methoxypropan-2-ol
CID 93230236

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (CID 51066694) is N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)C(C)C)C(C)C.
What is the InChIKey of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is GOOPRYFIYWFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O3/c1-7-23-21(15-30(17(4)5)25(32)16(2)3)26(34-24-13-8-18(27)14-22(24)28)31(29-23)19-9-11-20(33-6)12-10-19/h8-14,16-17H,7,15H2,1-6H3.
What are the key properties of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 471.55 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 51066694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).