3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide

C23H24F3N3O2 — CID 46042659

IUPAC3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C23H24F3N3O2/c1-14(2)28(4)22(30)12-10-19-15(3)27-29(18-8-5-16(24)6-9-18)23(19)31-21-11-7-17(25)13-20(21)26/h5-9,11,13-14H,10,12H2,1-4H3
InChIKeyOEGYAWHNEISUAY-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.19
Rot. Bonds7

About 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide

3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 46042659) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
PubChem CID46042659
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C23H24F3N3O2/c1-14(2)28(4)22(30)12-10-19-15(3)27-29(18-8-5-16(24)6-9-18)23(19)31-21-11-7-17(25)13-20(21)26/h5-9,11,13-14H,10,12H2,1-4H3
InChIKeyOEGYAWHNEISUAY-UHFFFAOYSA-N
XLogP5.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042576
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042648
N,N-diethyl-3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]propanamide
CID 46042678
N-ethyl-3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-methylpropanamide
CID 46043116
N,N-diethyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042825
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042772
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51068939
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51068945
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42850417
N-benzyl-3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042766

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (CID 46042659) is 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N(C)C(C)C.
What is the InChIKey of 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is OEGYAWHNEISUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-14(2)28(4)22(30)12-10-19-15(3)27-29(18-8-5-16(24)6-9-18)23(19)31-21-11-7-17(25)13-20(21)26/h5-9,11,13-14H,10,12H2,1-4H3.
What are the key properties of 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 431.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 46042659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).