3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol

C12H20N2O — CID 177263203

IUPAC3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol
SMILESCc1cn(C2CC(O)C2)nc1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8-7-14(9-5-10(15)6-9)13-11(8)12(2,3)4/h7,9-10,15H,5-6H2,1-4H3
InChIKeyPRNXOQBRJRTNNH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds1

About 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol

3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol (PubChem CID 177263203) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol
PubChem CID177263203
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol
SMILESCc1cn(C2CC(O)C2)nc1C(C)(C)C
InChIInChI=1S/C12H20N2O/c1-8-7-14(9-5-10(15)6-9)13-11(8)12(2,3)4/h7,9-10,15H,5-6H2,1-4H3
InChIKeyPRNXOQBRJRTNNH-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol?
The IUPAC name of 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol (CID 177263203) is 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol is Cc1cn(C2CC(O)C2)nc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol?
The InChIKey is PRNXOQBRJRTNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-7-14(9-5-10(15)6-9)13-11(8)12(2,3)4/h7,9-10,15H,5-6H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol?
3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methylpyrazol-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 177263203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).