1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole

C22H26N6O — CID 101245088

IUPAC1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESCC(C)(C)c1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C22H26N6O/c1-21(2,3)20-9-7-19(8-10-20)17-29-18-22(26-14-4-11-23-26,27-15-5-12-24-27)28-16-6-13-25-28/h4-16H,17-18H2,1-3H3
InChIKeyMEYQWPBCVOPSDV-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole

1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole (PubChem CID 101245088) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
PubChem CID101245088
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole
SMILESCC(C)(C)c1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/C22H26N6O/c1-21(2,3)20-9-7-19(8-10-20)17-29-18-22(26-14-4-11-23-26,27-15-5-12-24-27)28-16-6-13-25-28/h4-16H,17-18H2,1-3H3
InChIKeyMEYQWPBCVOPSDV-UHFFFAOYSA-N
XLogP3.50
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12057030
2-methyl-N-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]propanethioamide
CID 153488278
1-[2-methoxy-1,1-di(pyrazol-1-yl)ethyl]pyrazole
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1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
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(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
1-[(2-chlorophenyl)-phenyl-[4-(3-phenylmethoxypropyl)phenyl]methyl]pyrazole
CID 166175354
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
2-[1-[2-[(4-tert-butylphenyl)methoxy]ethyl]pyrazol-4-yl]quinoline
CID 3654255
1-tert-butyl-4-(trioxidanylmethyl)benzene
CID 88578180
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine
CID 167427720
1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 56617676

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The IUPAC name of 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole (CID 101245088) is 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole.
What is the SMILES notation for 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The canonical SMILES for 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole is CC(C)(C)c1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1.
What is the InChIKey of 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
The InChIKey is MEYQWPBCVOPSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-21(2,3)20-9-7-19(8-10-20)17-29-18-22(26-14-4-11-23-26,27-15-5-12-24-27)28-16-6-13-25-28/h4-16H,17-18H2,1-3H3.
What are the key properties of 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole?
1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole has a molecular weight of 390.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylphenyl)methoxy]-1,1-di(pyrazol-1-yl)ethyl]pyrazole is sourced from PubChem (CID 101245088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).