2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine

C21H21N5O — CID 175419786

IUPAC2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine
SMILESCOc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4C)[nH]n3)cn2)n1
InChIInChI=1S/C21H21N5O/c1-14-6-4-8-18(15(14)2)20-10-19(24-25-20)16-11-22-26(12-16)13-17-7-5-9-21(23-17)27-3/h4-12H,13H2,1-3H3,(H,24,25)
InChIKeyVTHGGWWZUAKPOV-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.01
Rot. Bonds5

About 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine

2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine (PubChem CID 175419786) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine
PubChem CID175419786
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine
SMILESCOc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4C)[nH]n3)cn2)n1
InChIInChI=1S/C21H21N5O/c1-14-6-4-8-18(15(14)2)20-10-19(24-25-20)16-11-22-26(12-16)13-17-7-5-9-21(23-17)27-3/h4-12H,13H2,1-3H3,(H,24,25)
InChIKeyVTHGGWWZUAKPOV-UHFFFAOYSA-N
XLogP4.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
CID 175348065
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 103347745
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288621
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
3-[1-[(2,4-dimethylazet-3-yl)methyl]pyrazol-4-yl]-1-[(6-methoxy-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 118075056
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
1-(2-methoxyethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-amine
CID 103347582
2-[[4-(1-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 81449355
5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
CID 114553619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine?
The IUPAC name of 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine (CID 175419786) is 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine?
The canonical SMILES for 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine is COc1cccc(Cn2cc(-c3cc(-c4cccc(C)c4C)[nH]n3)cn2)n1.
What is the InChIKey of 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine?
The InChIKey is VTHGGWWZUAKPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-6-4-8-18(15(14)2)20-10-19(24-25-20)16-11-22-26(12-16)13-17-7-5-9-21(23-17)27-3/h4-12H,13H2,1-3H3,(H,24,25).
What are the key properties of 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine?
2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine has a molecular weight of 359.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(2,3-dimethylphenyl)-1H-pyrazol-3-yl]pyrazol-1-yl]methyl]-6-methoxypyridine is sourced from PubChem (CID 175419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).