5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 1482897

IUPAC5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H](NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-13-9-8-10-14(2)18(13)24-22(29)19(16-11-6-5-7-12-16)25-21(28)17-15(3)26-27(4)20(17)23/h5-12,19H,1-4H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyDLMOYSRTAIRDSQ-LJQANCHMSA-N
MW410.91 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 1482897) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID1482897
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H](NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-13-9-8-10-14(2)18(13)24-22(29)19(16-11-6-5-7-12-16)25-21(28)17-15(3)26-27(4)20(17)23/h5-12,19H,1-4H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyDLMOYSRTAIRDSQ-LJQANCHMSA-N
XLogP4.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 1482897) is 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1c(C)nn(C)c1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is DLMOYSRTAIRDSQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13-9-8-10-14(2)18(13)24-22(29)19(16-11-6-5-7-12-16)25-21(28)17-15(3)26-27(4)20(17)23/h5-12,19H,1-4H3,(H,24,29)(H,25,28)/t19-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1482897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).