(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide

C26H24Cl2N4O — CID 171358801

IUPAC(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C26H24Cl2N4O/c1-31(2)25(19-6-4-3-5-7-19)26(33)29-17-22-16-24(18-8-10-20(27)11-9-18)32(30-22)23-14-12-21(28)13-15-23/h3-16,25H,17H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyXGKIPXUIXSVLEU-VWLOTQADSA-N
MW479.41 g/mol
LogP5.77
Rot. Bonds7

About (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide

(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide (PubChem CID 171358801) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide
PubChem CID171358801
Molecular FormulaC26H24Cl2N4O
Molecular Weight479.41 g/mol
Exact Mass478.13
IUPAC Name(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide
SMILESCN(C)[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C26H24Cl2N4O/c1-31(2)25(19-6-4-3-5-7-19)26(33)29-17-22-16-24(18-8-10-20(27)11-9-18)32(30-22)23-14-12-21(28)13-15-23/h3-16,25H,17H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyXGKIPXUIXSVLEU-VWLOTQADSA-N
XLogP5.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide (CID 171358801) is (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide is CN(C)[C@H](C(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1.
What is the InChIKey of (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is XGKIPXUIXSVLEU-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24Cl2N4O/c1-31(2)25(19-6-4-3-5-7-19)26(33)29-17-22-16-24(18-8-10-20(27)11-9-18)32(30-22)23-14-12-21(28)13-15-23/h3-16,25H,17H2,1-2H3,(H,29,33)/t25-/m0/s1.
What are the key properties of (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide?
(2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 479.41 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 171358801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).