1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol

C12H18N2O — CID 121291958

IUPAC1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
SMILESCCn1nc(C2(O)CC2)c2c1CCCC2
InChIInChI=1S/C12H18N2O/c1-2-14-10-6-4-3-5-9(10)11(13-14)12(15)7-8-12/h15H,2-8H2,1H3
InChIKeyDPYOQBMNGDWUCG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds2

About 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol

1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol (PubChem CID 121291958) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
PubChem CID121291958
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
SMILESCCn1nc(C2(O)CC2)c2c1CCCC2
InChIInChI=1S/C12H18N2O/c1-2-14-10-6-4-3-5-9(10)11(13-14)12(15)7-8-12/h15H,2-8H2,1H3
InChIKeyDPYOQBMNGDWUCG-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol (CID 121291958) is 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol is CCn1nc(C2(O)CC2)c2c1CCCC2.
What is the InChIKey of 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol?
The InChIKey is DPYOQBMNGDWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-14-10-6-4-3-5-9(10)11(13-14)12(15)7-8-12/h15H,2-8H2,1H3.
What are the key properties of 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol?
1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol is sourced from PubChem (CID 121291958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).