3-methyl-1-phenylindazole

C14H12N2 — CID 11367779

IUPAC3-methyl-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2/c1-11-13-9-5-6-10-14(13)16(15-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyHFZUNQHPBDQQAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.33
Rot. Bonds1

About 3-methyl-1-phenylindazole

3-methyl-1-phenylindazole (PubChem CID 11367779) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-1-phenylindazole.

Molecular Properties

Compound Name3-methyl-1-phenylindazole
PubChem CID11367779
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-methyl-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2/c1-11-13-9-5-6-10-14(13)16(15-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyHFZUNQHPBDQQAK-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylindazole?
The IUPAC name of 3-methyl-1-phenylindazole (CID 11367779) is 3-methyl-1-phenylindazole.
What is the SMILES notation for 3-methyl-1-phenylindazole?
The canonical SMILES for 3-methyl-1-phenylindazole is Cc1nn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-methyl-1-phenylindazole?
The InChIKey is HFZUNQHPBDQQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-13-9-5-6-10-14(13)16(15-11)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 3-methyl-1-phenylindazole?
3-methyl-1-phenylindazole has a molecular weight of 208.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylindazole is sourced from PubChem (CID 11367779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).