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

C25H25N3O3 — CID 21091017

IUPAC2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C25H25N3O3/c1-18(2)31-25-15-23(28(27-25)21-11-14-24(29-3)26-16-21)20-9-12-22(13-10-20)30-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3
InChIKeyCJCKOJPKCHYCCD-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.31
Rot. Bonds8

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

2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 21091017) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID21091017
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C25H25N3O3/c1-18(2)31-25-15-23(28(27-25)21-11-14-24(29-3)26-16-21)20-9-12-22(13-10-20)30-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3
InChIKeyCJCKOJPKCHYCCD-UHFFFAOYSA-N
XLogP5.31
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 21091017) is 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine is COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is CJCKOJPKCHYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18(2)31-25-15-23(28(27-25)21-11-14-24(29-3)26-16-21)20-9-12-22(13-10-20)30-17-19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3.
What are the key properties of 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine?
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 415.49 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine is sourced from PubChem (CID 21091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).