1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol

C10H18N2O — CID 23005966

IUPAC1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1cnn(C(C)C)c1C
InChIInChI=1S/C10H18N2O/c1-5-10(13)9-6-11-12(7(2)3)8(9)4/h6-7,10,13H,5H2,1-4H3
InChIKeyOQGRYHKMDFPGQX-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.22
Rot. Bonds3

About 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol

1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol (PubChem CID 23005966) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol
PubChem CID23005966
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1cnn(C(C)C)c1C
InChIInChI=1S/C10H18N2O/c1-5-10(13)9-6-11-12(7(2)3)8(9)4/h6-7,10,13H,5H2,1-4H3
InChIKeyOQGRYHKMDFPGQX-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol (CID 23005966) is 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol is CCC(O)c1cnn(C(C)C)c1C.
What is the InChIKey of 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol?
The InChIKey is OQGRYHKMDFPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-10(13)9-6-11-12(7(2)3)8(9)4/h6-7,10,13H,5H2,1-4H3.
What are the key properties of 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol?
1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 23005966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).