4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole

C15H20N2O — CID 155787800

IUPAC4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-9-16-17(11-13)10-12-5-7-14(18-4)8-6-12/h5-9,11H,10H2,1-4H3
InChIKeyRZGDAUTVZGJOCG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.24
Rot. Bonds3

About 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole

4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 155787800) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID155787800
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)13-9-16-17(11-13)10-12-5-7-14(18-4)8-6-12/h5-9,11H,10H2,1-4H3
InChIKeyRZGDAUTVZGJOCG-UHFFFAOYSA-N
XLogP3.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
CID 72855762
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
CID 121496283
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
lithium 1-[(4-methoxyphenyl)methyl]-4H-pyrazol-4-ide
CID 23691147

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole (CID 155787800) is 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2cc(C(C)(C)C)cn2)cc1.
What is the InChIKey of 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is RZGDAUTVZGJOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)13-9-16-17(11-13)10-12-5-7-14(18-4)8-6-12/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole?
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 155787800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).