N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide

C21H23N3O2 — CID 46043085

IUPACN-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
SMILESCCNC(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-22-20(25)15-14-19-16(2)23-24(17-10-6-4-7-11-17)21(19)26-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3,(H,22,25)
InChIKeyNOKBLEBMMOOKMA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.04
Rot. Bonds7

About N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide

N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide (PubChem CID 46043085) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
PubChem CID46043085
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
SMILESCCNC(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-3-22-20(25)15-14-19-16(2)23-24(17-10-6-4-7-11-17)21(19)26-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3,(H,22,25)
InChIKeyNOKBLEBMMOOKMA-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 46042918
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
N-(2-methoxyethyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042503
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide (CID 46043085) is N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide is CCNC(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccccc1.
What is the InChIKey of N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is NOKBLEBMMOOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-22-20(25)15-14-19-16(2)23-24(17-10-6-4-7-11-17)21(19)26-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide?
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 46043085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).