3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide

C22H24FN3O2 — CID 46043139

IUPAC3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC(C)C
InChIInChI=1S/C22H24FN3O2/c1-15(2)24-21(27)14-13-20-16(3)25-26(18-7-5-4-6-8-18)22(20)28-19-11-9-17(23)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,24,27)
InChIKeyCPXATFOKPRBWGA-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.57
Rot. Bonds7

About 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide

3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide (PubChem CID 46043139) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
PubChem CID46043139
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC(C)C
InChIInChI=1S/C22H24FN3O2/c1-15(2)24-21(27)14-13-20-16(3)25-26(18-7-5-4-6-8-18)22(20)28-19-11-9-17(23)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,24,27)
InChIKeyCPXATFOKPRBWGA-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713
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
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
3-(3,5-dimethoxyphenyl)-N,N-dimethyl-2-[4-[3-methyl-4-[3-oxo-3-(propan-2-ylamino)propyl]-1-phenylpyrazol-5-yl]oxyphenyl]prop-2-enamide
CID 4003806
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
3-[1-(4-fluorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42850574
(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 9453079
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
N,N-diethyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042825

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide (CID 46043139) is 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC(C)C.
What is the InChIKey of 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is CPXATFOKPRBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15(2)24-21(27)14-13-20-16(3)25-26(18-7-5-4-6-8-18)22(20)28-19-11-9-17(23)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,24,27).
What are the key properties of 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide?
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 381.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46043139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).