1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol

C18H18N2O — CID 155513012

IUPAC1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(C2CC2)cc2[nH]ncc12
InChIInChI=1S/C18H18N2O/c21-18(8-12-4-2-1-3-5-12)15-9-14(13-6-7-13)10-17-16(15)11-19-20-17/h1-5,9-11,13,18,21H,6-8H2,(H,19,20)
InChIKeyCDYKVVRLCWXOLL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.72
Rot. Bonds4

About 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol

1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol (PubChem CID 155513012) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol
PubChem CID155513012
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(C2CC2)cc2[nH]ncc12
InChIInChI=1S/C18H18N2O/c21-18(8-12-4-2-1-3-5-12)15-9-14(13-6-7-13)10-17-16(15)11-19-20-17/h1-5,9-11,13,18,21H,6-8H2,(H,19,20)
InChIKeyCDYKVVRLCWXOLL-UHFFFAOYSA-N
XLogP3.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol?
The IUPAC name of 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol (CID 155513012) is 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol.
What is the SMILES notation for 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol?
The canonical SMILES for 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol is OC(Cc1ccccc1)c1cc(C2CC2)cc2[nH]ncc12.
What is the InChIKey of 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol?
The InChIKey is CDYKVVRLCWXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(8-12-4-2-1-3-5-12)15-9-14(13-6-7-13)10-17-16(15)11-19-20-17/h1-5,9-11,13,18,21H,6-8H2,(H,19,20).
What are the key properties of 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol?
1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol has a molecular weight of 278.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-1H-indazol-4-yl)-2-phenylethanol is sourced from PubChem (CID 155513012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).