3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol

C13H24N2O — CID 166082944

IUPAC3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)(C)C)nn1C(C)C
InChIInChI=1S/C13H24N2O/c1-7-8-10-11(16)12(13(4,5)6)14-15(10)9(2)3/h9,16H,7-8H2,1-6H3
InChIKeyDMQWUSVXGMZMAQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.42
Rot. Bonds3

About 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol

3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol (PubChem CID 166082944) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol.

Molecular Properties

Compound Name3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
PubChem CID166082944
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)(C)C)nn1C(C)C
InChIInChI=1S/C13H24N2O/c1-7-8-10-11(16)12(13(4,5)6)14-15(10)9(2)3/h9,16H,7-8H2,1-6H3
InChIKeyDMQWUSVXGMZMAQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol?
The IUPAC name of 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol (CID 166082944) is 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol.
What is the SMILES notation for 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol?
The canonical SMILES for 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol is CCCc1c(O)c(C(C)(C)C)nn1C(C)C.
What is the InChIKey of 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol?
The InChIKey is DMQWUSVXGMZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-8-10-11(16)12(13(4,5)6)14-15(10)9(2)3/h9,16H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol?
3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol has a molecular weight of 224.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol is sourced from PubChem (CID 166082944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).