1-tert-butyl-3-(3-ethoxyphenyl)pyrazole

C15H20N2O — CID 174113162

IUPAC1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
SMILESCCOc1cccc(-c2ccn(C(C)(C)C)n2)c1
InChIInChI=1S/C15H20N2O/c1-5-18-13-8-6-7-12(11-13)14-9-10-17(16-14)15(2,3)4/h6-11H,5H2,1-4H3
InChIKeyDXUPSKJEUBVGQC-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.70
Rot. Bonds3

About 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole

1-tert-butyl-3-(3-ethoxyphenyl)pyrazole (PubChem CID 174113162) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
PubChem CID174113162
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
SMILESCCOc1cccc(-c2ccn(C(C)(C)C)n2)c1
InChIInChI=1S/C15H20N2O/c1-5-18-13-8-6-7-12(11-13)14-9-10-17(16-14)15(2,3)4/h6-11H,5H2,1-4H3
InChIKeyDXUPSKJEUBVGQC-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-5-(3-ethoxyphenyl)pyrazine
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[3-[1-[1,1-bis[3-[3-(sulfanylmethyl)phenyl]pyrazol-1-yl]ethyl]pyrazol-3-yl]phenyl]methanethiol
CID 102578592
4-(3-ethoxyphenyl)imidazole-1,5-diamine
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N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79491562
2-(3-ethoxyphenyl)aniline
CID 57482711
CID 88533014
CID 88533014
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
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4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole?
The IUPAC name of 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole (CID 174113162) is 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole is CCOc1cccc(-c2ccn(C(C)(C)C)n2)c1.
What is the InChIKey of 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole?
The InChIKey is DXUPSKJEUBVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-18-13-8-6-7-12(11-13)14-9-10-17(16-14)15(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole?
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-ethoxyphenyl)pyrazole is sourced from PubChem (CID 174113162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).