(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol

C15H15N3O — CID 63976354

IUPAC(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol
SMILESCCn1nccc1C(O)c1nccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-2-18-13(8-10-17-18)15(19)14-12-6-4-3-5-11(12)7-9-16-14/h3-10,15,19H,2H2,1H3
InChIKeyUEAHTCCBNUACIM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.53
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol

(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol (PubChem CID 63976354) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol
PubChem CID63976354
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol
SMILESCCn1nccc1C(O)c1nccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-2-18-13(8-10-17-18)15(19)14-12-6-4-3-5-11(12)7-9-16-14/h3-10,15,19H,2H2,1H3
InChIKeyUEAHTCCBNUACIM-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol (CID 63976354) is (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol is CCn1nccc1C(O)c1nccc2ccccc12.
What is the InChIKey of (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol?
The InChIKey is UEAHTCCBNUACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-13(8-10-17-18)15(19)14-12-6-4-3-5-11(12)7-9-16-14/h3-10,15,19H,2H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol?
(2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol has a molecular weight of 253.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-isoquinolin-1-ylmethanol is sourced from PubChem (CID 63976354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).