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

C23H24FN5O3 — CID 56573241

IUPACN-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C23H24FN5O3/c1-14-19(15(2)29(28-14)17-9-7-16(24)8-10-17)13-22(31)27-20-6-4-3-5-18(20)23(32)26-12-11-21(25)30/h3-10H,11-13H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)
InChIKeyYALUXONLMNQBLZ-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.41
Rot. Bonds8

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

N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide (PubChem CID 56573241) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
PubChem CID56573241
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C23H24FN5O3/c1-14-19(15(2)29(28-14)17-9-7-16(24)8-10-17)13-22(31)27-20-6-4-3-5-18(20)23(32)26-12-11-21(25)30/h3-10H,11-13H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)
InChIKeyYALUXONLMNQBLZ-UHFFFAOYSA-N
XLogP2.41
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 131908651
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 37245468
N-[3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55779388
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372039
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide (CID 56573241) is N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
The InChIKey is YALUXONLMNQBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-19(15(2)29(28-14)17-9-7-16(24)8-10-17)13-22(31)27-20-6-4-3-5-18(20)23(32)26-12-11-21(25)30/h3-10H,11-13H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide has a molecular weight of 437.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 56573241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).