5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid

C21H16N4O3 — CID 141118128

IUPAC5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C21H16N4O3/c26-21(27)18-12-19(25(24-18)20-8-4-5-11-22-20)17-10-9-16(13-23-17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
InChIKeyKQOCUANGUHPLAT-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.61
Rot. Bonds6

About 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid

5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 141118128) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID141118128
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C21H16N4O3/c26-21(27)18-12-19(25(24-18)20-8-4-5-11-22-20)17-10-9-16(13-23-17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
InChIKeyKQOCUANGUHPLAT-UHFFFAOYSA-N
XLogP3.61
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
CID 59003625
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
7-(3-fluorophenyl)-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957903
2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine
CID 141118052
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
5-(3-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957659
7-[3-chloro-4-(iodomethoxy)phenyl]-5-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 143439530

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid (CID 141118128) is 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1.
What is the InChIKey of 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is KQOCUANGUHPLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(27)18-12-19(25(24-18)20-8-4-5-11-22-20)17-10-9-16(13-23-17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27).
What are the key properties of 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid?
5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 141118128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).