2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine

C23H21N3O3 — CID 141089711

IUPAC2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2cccnc2OC)n1
InChIInChI=1S/C23H21N3O3/c1-27-22-15-21(26(25-22)20-9-6-14-24-23(20)28-2)18-10-12-19(13-11-18)29-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3
InChIKeyQKKUYCAIVQPZAO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.53
Rot. Bonds7

About 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine

2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine (PubChem CID 141089711) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
PubChem CID141089711
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2cccnc2OC)n1
InChIInChI=1S/C23H21N3O3/c1-27-22-15-21(26(25-22)20-9-6-14-24-23(20)28-2)18-10-12-19(13-11-18)29-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3
InChIKeyQKKUYCAIVQPZAO-UHFFFAOYSA-N
XLogP4.53
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 59632580
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
CID 11486400
4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 154455192
2-[4-[1-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090708
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine (CID 141089711) is 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine is COc1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2cccnc2OC)n1.
What is the InChIKey of 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The InChIKey is QKKUYCAIVQPZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-27-22-15-21(26(25-22)20-9-6-14-24-23(20)28-2)18-10-12-19(13-11-18)29-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3.
What are the key properties of 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine has a molecular weight of 387.44 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 141089711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).