N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide

C24H29N3O4 — CID 51069041

IUPACN-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O4/c1-5-23(28)26(15-16-29-3)17-22-18(2)25-27(19-9-7-6-8-10-19)24(22)31-21-13-11-20(30-4)12-14-21/h6-14H,5,15-17H2,1-4H3
InChIKeyXRDBGEPUCJMYFN-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.37
Rot. Bonds10

About N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide

N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide (PubChem CID 51069041) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
PubChem CID51069041
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O4/c1-5-23(28)26(15-16-29-3)17-22-18(2)25-27(19-9-7-6-8-10-19)24(22)31-21-13-11-20(30-4)12-14-21/h6-14H,5,15-17H2,1-4H3
InChIKeyXRDBGEPUCJMYFN-UHFFFAOYSA-N
XLogP4.37
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069038
2-methoxy-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-propylacetamide
CID 42818833
N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 51069076
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
CID 51069588
1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
CID 51068718
N-benzyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069056
2-chloro-N-(2-methoxyethyl)-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068659
N-(2-methoxyethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]acetamide
CID 71956935
3-tert-butyl-1-(2-methoxyethyl)-1-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]urea
CID 51069388
4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069031
(2S)-1-[2-methoxyethyl-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]hex-5-en-2-ol
CID 93217528
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 51069535

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide (CID 51069041) is N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide is CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide?
The InChIKey is XRDBGEPUCJMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-23(28)26(15-16-29-3)17-22-18(2)25-27(19-9-7-6-8-10-19)24(22)31-21-13-11-20(30-4)12-14-21/h6-14H,5,15-17H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide?
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide has a molecular weight of 423.51 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 51069041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).