N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide

C24H29N3O3 — CID 46042471

IUPACN-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C
InChIInChI=1S/C24H29N3O3/c1-5-21-20(15-16-23(28)25-6-2)24(30-22-10-8-7-9-17(22)3)27(26-21)18-11-13-19(29-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyGIXZWMCXTBAABL-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.61
Rot. Bonds9

About N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide

N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide (PubChem CID 46042471) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
PubChem CID46042471
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C
InChIInChI=1S/C24H29N3O3/c1-5-21-20(15-16-23(28)25-6-2)24(30-22-10-8-7-9-17(22)3)27(26-21)18-11-13-19(29-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyGIXZWMCXTBAABL-UHFFFAOYSA-N
XLogP4.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-[1-(4-methoxyphenyl)-3-methyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042628
3-[3-ethyl-5-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methylpropyl)propanamide
CID 42850441
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[3-ethyl-1-(4-methoxyphenyl)-5-(3-methylphenoxy)pyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 42850467
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide?
The IUPAC name of N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide (CID 46042471) is N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide?
The canonical SMILES for N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide is CCNC(=O)CCc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1C.
What is the InChIKey of N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide?
The InChIKey is GIXZWMCXTBAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-21-20(15-16-23(28)25-6-2)24(30-22-10-8-7-9-17(22)3)27(26-21)18-11-13-19(29-4)14-12-18/h7-14H,5-6,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide?
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide is sourced from PubChem (CID 46042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).