N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide

C22H24FN3O2 — CID 42850422

IUPACN-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-3-20-19(14-15-21(27)24-4-2)22(28-18-12-10-16(23)11-13-18)26(25-20)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,24,27)
InChIKeyJGCVNZAZLNOVQF-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.43
Rot. Bonds8

About N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide

N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide (PubChem CID 42850422) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
PubChem CID42850422
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-3-20-19(14-15-21(27)24-4-2)22(28-18-12-10-16(23)11-13-18)26(25-20)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,24,27)
InChIKeyJGCVNZAZLNOVQF-UHFFFAOYSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 46042389
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
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-cyclopropyl-3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850402
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42850417

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The IUPAC name of N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide (CID 42850422) is N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The canonical SMILES for N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide is CCNC(=O)CCc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
The InChIKey is JGCVNZAZLNOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-20-19(14-15-21(27)24-4-2)22(28-18-12-10-16(23)11-13-18)26(25-20)17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide?
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide is sourced from PubChem (CID 42850422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).