2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol

C11H18N2O — CID 79332335

IUPAC2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N2O/c1-5-9-6-11(9,14)10-7(2)12-13(4)8(10)3/h9,14H,5-6H2,1-4H3
InChIKeyKTWBMQLJIAKWDP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds2

About 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol

2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol (PubChem CID 79332335) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
PubChem CID79332335
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
SMILESCCC1CC1(O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N2O/c1-5-9-6-11(9,14)10-7(2)12-13(4)8(10)3/h9,14H,5-6H2,1-4H3
InChIKeyKTWBMQLJIAKWDP-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The IUPAC name of 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol (CID 79332335) is 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol is CCC1CC1(O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
The InChIKey is KTWBMQLJIAKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-9-6-11(9,14)10-7(2)12-13(4)8(10)3/h9,14H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol?
2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 79332335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).