N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C24H25FN4O2 — CID 55779388

IUPACN-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN4O2/c1-14-4-9-19(26-24(31)17-5-6-17)12-22(14)27-23(30)13-21-15(2)28-29(16(21)3)20-10-7-18(25)8-11-20/h4,7-12,17H,5-6,13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyFRGZJODGOYKZOW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.47
Rot. Bonds6

About N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55779388) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55779388
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN4O2/c1-14-4-9-19(26-24(31)17-5-6-17)12-22(14)27-23(30)13-21-15(2)28-29(16(21)3)20-10-7-18(25)8-11-20/h4,7-12,17H,5-6,13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyFRGZJODGOYKZOW-UHFFFAOYSA-N
XLogP4.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 18200170
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120881289
N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
CID 56573241
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55779388) is N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is FRGZJODGOYKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-14-4-9-19(26-24(31)17-5-6-17)12-22(14)27-23(30)13-21-15(2)28-29(16(21)3)20-10-7-18(25)8-11-20/h4,7-12,17H,5-6,13H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55779388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).