4-phenyl-1H-indazole

C13H10N2 — CID 89443960

IUPAC4-phenyl-1H-indazole
SMILESc1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C13H10N2/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-14-15-13/h1-9H,(H,14,15)
InChIKeyYTMUUYIUNJWUCC-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 4-phenyl-1H-indazole

4-phenyl-1H-indazole (PubChem CID 89443960) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-phenyl-1H-indazole.

Molecular Properties

Compound Name4-phenyl-1H-indazole
PubChem CID89443960
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name4-phenyl-1H-indazole
SMILESc1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C13H10N2/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-14-15-13/h1-9H,(H,14,15)
InChIKeyYTMUUYIUNJWUCC-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
1H-indazol-7-amine
CID 88901
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
5-benzhydryl-1H-pyrazole
CID 2806015
3-methyl-1H-indazole
CID 820804
5-Iodo-1H-indazole
CID 21894739
6-(trifluoromethyl)-1H-indazole
CID 21455599
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1H-indazole?
The IUPAC name of 4-phenyl-1H-indazole (CID 89443960) is 4-phenyl-1H-indazole.
What is the SMILES notation for 4-phenyl-1H-indazole?
The canonical SMILES for 4-phenyl-1H-indazole is c1ccc(-c2cccc3[nH]ncc23)cc1.
What is the InChIKey of 4-phenyl-1H-indazole?
The InChIKey is YTMUUYIUNJWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-14-15-13/h1-9H,(H,14,15).
What are the key properties of 4-phenyl-1H-indazole?
4-phenyl-1H-indazole has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1H-indazole is sourced from PubChem (CID 89443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).