1-(3-tert-butylpyrazol-1-yl)propan-2-ol

C10H18N2O — CID 102332322

IUPAC1-(3-tert-butylpyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(13)7-12-6-5-9(11-12)10(2,3)4/h5-6,8,13H,7H2,1-4H3
InChIKeyYUAHHCWLOYVXAX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.56
Rot. Bonds2

About 1-(3-tert-butylpyrazol-1-yl)propan-2-ol

1-(3-tert-butylpyrazol-1-yl)propan-2-ol (PubChem CID 102332322) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-tert-butylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-tert-butylpyrazol-1-yl)propan-2-ol
PubChem CID102332322
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-tert-butylpyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(13)7-12-6-5-9(11-12)10(2,3)4/h5-6,8,13H,7H2,1-4H3
InChIKeyYUAHHCWLOYVXAX-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3-tert-butylpyrazol-1-yl)propan-2-ol (CID 102332322) is 1-(3-tert-butylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-tert-butylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-tert-butylpyrazol-1-yl)propan-2-ol is CC(O)Cn1ccc(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butylpyrazol-1-yl)propan-2-ol?
The InChIKey is YUAHHCWLOYVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)7-12-6-5-9(11-12)10(2,3)4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 1-(3-tert-butylpyrazol-1-yl)propan-2-ol?
1-(3-tert-butylpyrazol-1-yl)propan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 102332322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).