1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole

C19H18N4 — CID 175834085

IUPAC1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole
SMILESCC#Cc1cccc2c1cnn2C(C)c1cnc(C2CC2)cn1
InChIInChI=1S/C19H18N4/c1-3-5-14-6-4-7-19-16(14)10-22-23(19)13(2)17-11-21-18(12-20-17)15-8-9-15/h4,6-7,10-13,15H,8-9H2,1-2H3
InChIKeyWPSAYORHSBJSBT-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.68
Rot. Bonds3

About 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole

1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole (PubChem CID 175834085) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole.

Molecular Properties

Compound Name1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole
PubChem CID175834085
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole
SMILESCC#Cc1cccc2c1cnn2C(C)c1cnc(C2CC2)cn1
InChIInChI=1S/C19H18N4/c1-3-5-14-6-4-7-19-16(14)10-22-23(19)13(2)17-11-21-18(12-20-17)15-8-9-15/h4,6-7,10-13,15H,8-9H2,1-2H3
InChIKeyWPSAYORHSBJSBT-UHFFFAOYSA-N
XLogP3.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole?
The IUPAC name of 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole (CID 175834085) is 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole.
What is the SMILES notation for 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole?
The canonical SMILES for 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole is CC#Cc1cccc2c1cnn2C(C)c1cnc(C2CC2)cn1.
What is the InChIKey of 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole?
The InChIKey is WPSAYORHSBJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-3-5-14-6-4-7-19-16(14)10-22-23(19)13(2)17-11-21-18(12-20-17)15-8-9-15/h4,6-7,10-13,15H,8-9H2,1-2H3.
What are the key properties of 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole?
1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole has a molecular weight of 302.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyclopropylpyrazin-2-yl)ethyl]-4-prop-1-ynylindazole is sourced from PubChem (CID 175834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).