1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol

C11H20N2O — CID 178165955

IUPAC1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1nc(C(C)C)cc1C
InChIInChI=1S/C11H20N2O/c1-5-10(14)7-13-9(4)6-11(12-13)8(2)3/h6,8,10,14H,5,7H2,1-4H3
InChIKeyYDGMIPXMCIIKOB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.09
Rot. Bonds4

About 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol

1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol (PubChem CID 178165955) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
PubChem CID178165955
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1nc(C(C)C)cc1C
InChIInChI=1S/C11H20N2O/c1-5-10(14)7-13-9(4)6-11(12-13)8(2)3/h6,8,10,14H,5,7H2,1-4H3
InChIKeyYDGMIPXMCIIKOB-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol (CID 178165955) is 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol is CCC(O)Cn1nc(C(C)C)cc1C.
What is the InChIKey of 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol?
The InChIKey is YDGMIPXMCIIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-10(14)7-13-9(4)6-11(12-13)8(2)3/h6,8,10,14H,5,7H2,1-4H3.
What are the key properties of 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol?
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 178165955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).