2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine

C21H18N4O — CID 141118052

IUPAC2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine
SMILESCc1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cn2)cn1
InChIInChI=1S/C21H18N4O/c1-16-7-8-18(13-22-16)25-21(11-12-24-25)20-10-9-19(14-23-20)26-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVBOBDHRIKYNROJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine

2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine (PubChem CID 141118052) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine
PubChem CID141118052
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine
SMILESCc1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cn2)cn1
InChIInChI=1S/C21H18N4O/c1-16-7-8-18(13-22-16)25-21(11-12-24-25)20-10-9-19(14-23-20)26-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyVBOBDHRIKYNROJ-UHFFFAOYSA-N
XLogP4.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(5-pyridin-2-ylpyrazol-1-yl)pyridine
CID 141118091
2-methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
N-cyclopropyl-5-[2-(4-phenylmethoxyphenyl)pyrazol-3-yl]-2-propanimidoylaniline
CID 143218405
5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 141118128
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
CID 59003625
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
2-methyl-N-[[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440308
N-[2-[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 105348799
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2735500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine (CID 141118052) is 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine is Cc1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cn2)cn1.
What is the InChIKey of 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine?
The InChIKey is VBOBDHRIKYNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-16-7-8-18(13-22-16)25-21(11-12-24-25)20-10-9-19(14-23-20)26-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine?
2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine has a molecular weight of 342.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(5-phenylmethoxy-2-pyridinyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 141118052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).