(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide

C26H26N4O2 — CID 92582699

IUPAC(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-19(20-7-4-3-5-8-20)26(31)28-15-16-30-25(22-9-6-14-27-18-22)17-24(29-30)21-10-12-23(32-2)13-11-21/h3-14,17-19H,15-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyLJTPPYHLHZJWTR-LJQANCHMSA-N
MW426.52 g/mol
LogP4.54
Rot. Bonds8

About (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide

(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide (PubChem CID 92582699) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
PubChem CID92582699
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
SMILESCOc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-19(20-7-4-3-5-8-20)26(31)28-15-16-30-25(22-9-6-14-27-18-22)17-24(29-30)21-10-12-23(32-2)13-11-21/h3-14,17-19H,15-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChIKeyLJTPPYHLHZJWTR-LJQANCHMSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583705
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 92600380
(2S)-N-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenylpropanamide
CID 99757799
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 171130626
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide (CID 92582699) is (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide is COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H](C)c3ccccc3)n2)cc1.
What is the InChIKey of (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide?
The InChIKey is LJTPPYHLHZJWTR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19(20-7-4-3-5-8-20)26(31)28-15-16-30-25(22-9-6-14-27-18-22)17-24(29-30)21-10-12-23(32-2)13-11-21/h3-14,17-19H,15-16H2,1-2H3,(H,28,31)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide?
(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 92582699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).