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

C24H27F2N3O4 — CID 51066691

IUPACN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(CCOC)C(C)=O
InChIInChI=1S/C24H27F2N3O4/c1-5-22-20(15-28(16(2)30)12-13-31-3)24(33-23-11-6-17(25)14-21(23)26)29(27-22)18-7-9-19(32-4)10-8-18/h6-11,14H,5,12-13,15H2,1-4H3
InChIKeyHGQPFVVVBUCEBS-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.51
Rot. Bonds10

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

N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 51066691) has the molecular formula C24H27F2N3O4 and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
PubChem CID51066691
Molecular FormulaC24H27F2N3O4
Molecular Weight459.49 g/mol
Exact Mass459.20
IUPAC NameN-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(CCOC)C(C)=O
InChIInChI=1S/C24H27F2N3O4/c1-5-22-20(15-28(16(2)30)12-13-31-3)24(33-23-11-6-17(25)14-21(23)26)29(27-22)18-7-9-19(32-4)10-8-18/h6-11,14H,5,12-13,15H2,1-4H3
InChIKeyHGQPFVVVBUCEBS-UHFFFAOYSA-N
XLogP4.51
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 51066694
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-propan-2-ylcyclobutanecarboxamide
CID 51068613
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-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 71956977
2-chloro-N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 71958625
N-(2-methoxyethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]acetamide
CID 71956935
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46140392
1-[[5-(2,4-difluorophenoxy)-3-ethyl-1-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propylurea
CID 93136380
1-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 46025753
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041
(2S)-1-[[3-ethyl-5-(2-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-propylamino]propan-2-ol
CID 93217859
(2S)-1-[[3-ethyl-5-(2-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl-propylamino]-3-methylbutan-2-ol
CID 93217853

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide (CID 51066691) is N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(F)cc2F)c1CN(CCOC)C(C)=O.
What is the InChIKey of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is HGQPFVVVBUCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O4/c1-5-22-20(15-28(16(2)30)12-13-31-3)24(33-23-11-6-17(25)14-21(23)26)29(27-22)18-7-9-19(32-4)10-8-18/h6-11,14H,5,12-13,15H2,1-4H3.
What are the key properties of N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide?
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 459.49 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 51066691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).