2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide

C25H23FN4O2 — CID 4880607

IUPAC2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCc1c(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O2/c1-17-22(25(32)30(29(17)2)21-11-7-4-8-12-21)28-23(18-9-5-3-6-10-18)24(31)27-20-15-13-19(26)14-16-20/h3-16,23,28H,1-2H3,(H,27,31)
InChIKeyAGHWRJCOEXOMBF-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.42
Rot. Bonds6

About 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide

2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 4880607) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID4880607
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCc1c(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H23FN4O2/c1-17-22(25(32)30(29(17)2)21-11-7-4-8-12-21)28-23(18-9-5-3-6-10-18)24(31)27-20-15-13-19(26)14-16-20/h3-16,23,28H,1-2H3,(H,27,31)
InChIKeyAGHWRJCOEXOMBF-UHFFFAOYSA-N
XLogP4.42
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenoxy)propanamide
CID 1045739
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
CID 40612688
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110823611
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 51943952
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-hydroxyphenyl)thiourea
CID 4913276
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 42887204

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 4880607) is 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide is Cc1c(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is AGHWRJCOEXOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-22(25(32)30(29(17)2)21-11-7-4-8-12-21)28-23(18-9-5-3-6-10-18)24(31)27-20-15-13-19(26)14-16-20/h3-16,23,28H,1-2H3,(H,27,31).
What are the key properties of 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide?
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 430.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 4880607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).