N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C25H21FN4O3 — CID 55902341

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cnn1-c1ccccc1F
InChIInChI=1S/C25H21FN4O3/c1-17-21(15-27-30(17)23-13-6-5-12-22(23)26)25(32)29-19-10-7-11-20(14-19)33-16-24(31)28-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyIIHUKOIHITZLDS-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.59
Rot. Bonds7

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55902341) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55902341
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cnn1-c1ccccc1F
InChIInChI=1S/C25H21FN4O3/c1-17-21(15-27-30(17)23-13-6-5-12-22(23)26)25(32)29-19-10-7-11-20(14-19)33-16-24(31)28-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,31)(H,29,32)
InChIKeyIIHUKOIHITZLDS-UHFFFAOYSA-N
XLogP4.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55901328
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
methyl 2-chloro-5-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]benzoate
CID 38239464
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 35819656
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-methoxy-5-methylbenzamide
CID 55901703
N-[3-(3-cyanopropoxy)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846112

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55902341) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cnn1-c1ccccc1F.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is IIHUKOIHITZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-17-21(15-27-30(17)23-13-6-5-12-22(23)26)25(32)29-19-10-7-11-20(14-19)33-16-24(31)28-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55902341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).