N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide

C22H24FN3O2 — CID 46042918

IUPACN-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1
InChIInChI=1S/C22H24FN3O2/c1-4-24-21(27)13-12-19-16(3)25-26(20-11-6-5-8-15(20)2)22(19)28-18-10-7-9-17(23)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyCFASAYOJBTUZBF-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.49
Rot. Bonds7

About N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide

N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide (PubChem CID 46042918) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
PubChem CID46042918
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide
SMILESCCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1
InChIInChI=1S/C22H24FN3O2/c1-4-24-21(27)13-12-19-16(3)25-26(20-11-6-5-8-15(20)2)22(19)28-18-10-7-9-17(23)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyCFASAYOJBTUZBF-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042924
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 46042798
3-[3-methyl-5-(4-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 46042893
N-benzyl-3-[3-methyl-5-(2-methylphenoxy)-1-(2-methylphenyl)pyrazol-4-yl]propanamide
CID 42850619
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509
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-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide (CID 46042918) is N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide is CCNC(=O)CCc1c(C)nn(-c2ccccc2C)c1Oc1cccc(F)c1.
What is the InChIKey of N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
The InChIKey is CFASAYOJBTUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-4-24-21(27)13-12-19-16(3)25-26(20-11-6-5-8-15(20)2)22(19)28-18-10-7-9-17(23)14-18/h5-11,14H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide?
N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(3-fluorophenoxy)-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 46042918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).