7-chloro-5-(3-methylphenyl)-1H-indazole

C14H11ClN2 — CID 171662467

IUPAC7-chloro-5-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C14H11ClN2/c1-9-3-2-4-10(5-9)11-6-12-8-16-17-14(12)13(15)7-11/h2-8H,1H3,(H,16,17)
InChIKeyDRCHIMYUVJFRGV-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.19
Rot. Bonds1

About 7-chloro-5-(3-methylphenyl)-1H-indazole

7-chloro-5-(3-methylphenyl)-1H-indazole (PubChem CID 171662467) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 7-chloro-5-(3-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name7-chloro-5-(3-methylphenyl)-1H-indazole
PubChem CID171662467
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name7-chloro-5-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2cc(Cl)c3[nH]ncc3c2)c1
InChIInChI=1S/C14H11ClN2/c1-9-3-2-4-10(5-9)11-6-12-8-16-17-14(12)13(15)7-11/h2-8H,1H3,(H,16,17)
InChIKeyDRCHIMYUVJFRGV-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3-methylphenyl)-1H-indazole?
The IUPAC name of 7-chloro-5-(3-methylphenyl)-1H-indazole (CID 171662467) is 7-chloro-5-(3-methylphenyl)-1H-indazole.
What is the SMILES notation for 7-chloro-5-(3-methylphenyl)-1H-indazole?
The canonical SMILES for 7-chloro-5-(3-methylphenyl)-1H-indazole is Cc1cccc(-c2cc(Cl)c3[nH]ncc3c2)c1.
What is the InChIKey of 7-chloro-5-(3-methylphenyl)-1H-indazole?
The InChIKey is DRCHIMYUVJFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-3-2-4-10(5-9)11-6-12-8-16-17-14(12)13(15)7-11/h2-8H,1H3,(H,16,17).
What are the key properties of 7-chloro-5-(3-methylphenyl)-1H-indazole?
7-chloro-5-(3-methylphenyl)-1H-indazole has a molecular weight of 242.71 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3-methylphenyl)-1H-indazole is sourced from PubChem (CID 171662467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).