1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C12H19N5O — CID 114213625

IUPAC1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCn1nncc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H19N5O/c1-5-17-11(7-13-15-17)12(18)6-10-8(2)14-16(4)9(10)3/h7,12,18H,5-6H2,1-4H3
InChIKeyPHFBCSGANLWAAP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.92
Rot. Bonds4

About 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 114213625) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID114213625
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCn1nncc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H19N5O/c1-5-17-11(7-13-15-17)12(18)6-10-8(2)14-16(4)9(10)3/h7,12,18H,5-6H2,1-4H3
InChIKeyPHFBCSGANLWAAP-UHFFFAOYSA-N
XLogP0.92
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 114213625) is 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is CCn1nncc1C(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is PHFBCSGANLWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-17-11(7-13-15-17)12(18)6-10-8(2)14-16(4)9(10)3/h7,12,18H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 249.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 114213625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).