(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol

C8H14N2O — CID 129088824

IUPAC(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(C[C@@H](C)O)c1C
InChIInChI=1S/C8H14N2O/c1-6-4-9-10(8(6)3)5-7(2)11/h4,7,11H,5H2,1-3H3/t7-/m1/s1
InChIKeyVZMDLSNKCQEBFB-SSDOTTSWSA-N
MW154.21 g/mol
LogP0.88
Rot. Bonds2

About (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol

(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 129088824) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID129088824
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(C[C@@H](C)O)c1C
InChIInChI=1S/C8H14N2O/c1-6-4-9-10(8(6)3)5-7(2)11/h4,7,11H,5H2,1-3H3/t7-/m1/s1
InChIKeyVZMDLSNKCQEBFB-SSDOTTSWSA-N
XLogP0.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol (CID 129088824) is (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cnn(C[C@@H](C)O)c1C.
What is the InChIKey of (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is VZMDLSNKCQEBFB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-9-10(8(6)3)5-7(2)11/h4,7,11H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol?
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 129088824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).