(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide

C21H24N4O — CID 94641301

IUPAC(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
SMILESCc1cc(C)n(-c2ccc(CCN[C@@H](C(N)=O)c3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O/c1-15-14-16(2)25(24-15)19-10-8-17(9-11-19)12-13-23-20(21(22)26)18-6-4-3-5-7-18/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1
InChIKeyRZIQBFQCOPQKNJ-HXUWFJFHSA-N
MW348.45 g/mol
LogP2.85
Rot. Bonds7

About (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide

(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide (PubChem CID 94641301) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
PubChem CID94641301
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
SMILESCc1cc(C)n(-c2ccc(CCN[C@@H](C(N)=O)c3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O/c1-15-14-16(2)25(24-15)19-10-8-17(9-11-19)12-13-23-20(21(22)26)18-6-4-3-5-7-18/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1
InChIKeyRZIQBFQCOPQKNJ-HXUWFJFHSA-N
XLogP2.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55707299
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
2-phenyl-2-[2-(1-phenylpyrazol-3-yl)ethylamino]acetamide
CID 51107455
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide (CID 94641301) is (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide is Cc1cc(C)n(-c2ccc(CCN[C@@H](C(N)=O)c3ccccc3)cc2)n1.
What is the InChIKey of (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide?
The InChIKey is RZIQBFQCOPQKNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-14-16(2)25(24-15)19-10-8-17(9-11-19)12-13-23-20(21(22)26)18-6-4-3-5-7-18/h3-11,14,20,23H,12-13H2,1-2H3,(H2,22,26)/t20-/m1/s1.
What are the key properties of (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide?
(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide has a molecular weight of 348.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide is sourced from PubChem (CID 94641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).