3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol

C11H18N2O — CID 79643620

IUPAC3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1nn(C2CCC(O)C2)c(C)c1C
InChIInChI=1S/C11H18N2O/c1-7-8(2)12-13(9(7)3)10-4-5-11(14)6-10/h10-11,14H,4-6H2,1-3H3
InChIKeyYAULDYKMWPZVGC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.89
Rot. Bonds1

About 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol

3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 79643620) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID79643620
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1nn(C2CCC(O)C2)c(C)c1C
InChIInChI=1S/C11H18N2O/c1-7-8(2)12-13(9(7)3)10-4-5-11(14)6-10/h10-11,14H,4-6H2,1-3H3
InChIKeyYAULDYKMWPZVGC-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol (CID 79643620) is 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol is Cc1nn(C2CCC(O)C2)c(C)c1C.
What is the InChIKey of 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is YAULDYKMWPZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-8(2)12-13(9(7)3)10-4-5-11(14)6-10/h10-11,14H,4-6H2,1-3H3.
What are the key properties of 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol?
3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 79643620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).