1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C16H26N4O — CID 83091915

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cn(C)nc2C(C)(C)C)n(C)n1
InChIInChI=1S/C16H26N4O/c1-7-11-8-12(20(6)17-11)9-14(21)13-10-19(5)18-15(13)16(2,3)4/h8,10,14,21H,7,9H2,1-6H3
InChIKeySGENLXCVIDDETR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 83091915) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID83091915
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cn(C)nc2C(C)(C)C)n(C)n1
InChIInChI=1S/C16H26N4O/c1-7-11-8-12(20(6)17-11)9-14(21)13-10-19(5)18-15(13)16(2,3)4/h8,10,14,21H,7,9H2,1-6H3
InChIKeySGENLXCVIDDETR-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813604
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,4-dichlorophenyl)ethanol
CID 83090725
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107969731
2-(4-bromothiophen-2-yl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethanol
CID 83091781
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-chlorophenyl)ethanol
CID 83091470
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 83091460
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
CID 115813553
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060083
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 83091915) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cn(C)nc2C(C)(C)C)n(C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is SGENLXCVIDDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-7-11-8-12(20(6)17-11)9-14(21)13-10-19(5)18-15(13)16(2,3)4/h8,10,14,21H,7,9H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 290.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 83091915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).