4-(1H-indazol-5-yl)but-3-en-1-ol

C11H12N2O — CID 170476685

IUPAC4-(1H-indazol-5-yl)but-3-en-1-ol
SMILESOCCC=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H12N2O/c14-6-2-1-3-9-4-5-11-10(7-9)8-12-13-11/h1,3-5,7-8,14H,2,6H2,(H,12,13)
InChIKeyANLYSRGRDVVPNU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.96
Rot. Bonds3

About 4-(1H-indazol-5-yl)but-3-en-1-ol

4-(1H-indazol-5-yl)but-3-en-1-ol (PubChem CID 170476685) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)but-3-en-1-ol
PubChem CID170476685
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(1H-indazol-5-yl)but-3-en-1-ol
SMILESOCCC=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H12N2O/c14-6-2-1-3-9-4-5-11-10(7-9)8-12-13-11/h1,3-5,7-8,14H,2,6H2,(H,12,13)
InChIKeyANLYSRGRDVVPNU-UHFFFAOYSA-N
XLogP1.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
CID 169465579
molecular hydrogen;6-[(E)-pent-1-enyl]-1H-indazole
CID 143443392
(Z)-2-fluoro-3-(1H-indazol-5-yl)prop-2-enenitrile
CID 119090550
4-(1H-indazol-6-yl)but-3-enenitrile
CID 170799818
6-(4-aminobut-1-enyl)-2H-phthalazin-1-one
CID 170487643
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
CID 170477313
6-[(E)-2-(1H-indazol-5-yl)ethenyl]-4-prop-1-en-2-ylquinoline
CID 163628297
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
1H-indazol-5-yl 2-hydroxyacetate
CID 117051739
2-[[1-(hydroxymethyl)-2-[(E)-2-(1H-indazol-5-yl)ethenyl]cyclopropanecarbonyl]amino]acetic acid
CID 86291270
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
2-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 117281905

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)but-3-en-1-ol?
The IUPAC name of 4-(1H-indazol-5-yl)but-3-en-1-ol (CID 170476685) is 4-(1H-indazol-5-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(1H-indazol-5-yl)but-3-en-1-ol?
The canonical SMILES for 4-(1H-indazol-5-yl)but-3-en-1-ol is OCCC=Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 4-(1H-indazol-5-yl)but-3-en-1-ol?
The InChIKey is ANLYSRGRDVVPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-6-2-1-3-9-4-5-11-10(7-9)8-12-13-11/h1,3-5,7-8,14H,2,6H2,(H,12,13).
What are the key properties of 4-(1H-indazol-5-yl)but-3-en-1-ol?
4-(1H-indazol-5-yl)but-3-en-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)but-3-en-1-ol is sourced from PubChem (CID 170476685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).