ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate

C24H22N4O3 — CID 91368257

IUPACethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H22N4O3/c1-2-31-23(29)19-14-27-28(17-19)22(18-8-4-3-5-9-18)24(30,20-10-6-12-25-15-20)21-11-7-13-26-16-21/h3-17,22,30H,2H2,1H3
InChIKeyGIMWWVXCAZQTOF-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.38
Rot. Bonds7

About ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate

ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate (PubChem CID 91368257) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate
PubChem CID91368257
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Nameethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H22N4O3/c1-2-31-23(29)19-14-27-28(17-19)22(18-8-4-3-5-9-18)24(30,20-10-6-12-25-15-20)21-11-7-13-26-16-21/h3-17,22,30H,2H2,1H3
InChIKeyGIMWWVXCAZQTOF-UHFFFAOYSA-N
XLogP3.38
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 1-[1-(3-chlorophenyl)ethyl]pyrazole-4-carboxylate
CID 169109329
3-(4-ethoxycarbonylpyrazol-1-yl)butanoic acid
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ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
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ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl 1-[2-amino-1-(3-chlorophenyl)ethyl]pyrazole-4-carboxylate
CID 81498769
ethyl 1-[2-amino-1-(3-chlorophenyl)propyl]pyrazole-4-carboxylate
CID 81494607
ethyl 1-(4-amino-2,2-dimethylpentan-3-yl)pyrazole-4-carboxylate
CID 81497571
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
4-(2-hydroxy-2,2-dipyridin-3-yl-1-pyrrolidin-1-ylethyl)-N,N-dimethylbenzamide
CID 66962391

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate (CID 91368257) is ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(c2ccccc2)C(O)(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate?
The InChIKey is GIMWWVXCAZQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-23(29)19-14-27-28(17-19)22(18-8-4-3-5-9-18)24(30,20-10-6-12-25-15-20)21-11-7-13-26-16-21/h3-17,22,30H,2H2,1H3.
What are the key properties of ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate?
ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate has a molecular weight of 414.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 91368257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).