1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol

C13H24N2O — CID 62730904

IUPAC1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(C)Cn1nc(C)c(C(O)CC)c1C
InChIInChI=1S/C13H24N2O/c1-6-9(3)8-15-11(5)13(10(4)14-15)12(16)7-2/h9,12,16H,6-8H2,1-5H3
InChIKeyLKFRRYCSIFRBKS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.99
Rot. Bonds5

About 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol

1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol (PubChem CID 62730904) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
PubChem CID62730904
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(C)Cn1nc(C)c(C(O)CC)c1C
InChIInChI=1S/C13H24N2O/c1-6-9(3)8-15-11(5)13(10(4)14-15)12(16)7-2/h9,12,16H,6-8H2,1-5H3
InChIKeyLKFRRYCSIFRBKS-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol (CID 62730904) is 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol is CCC(C)Cn1nc(C)c(C(O)CC)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is LKFRRYCSIFRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-9(3)8-15-11(5)13(10(4)14-15)12(16)7-2/h9,12,16H,6-8H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol?
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62730904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).