5-[(4-methylphenyl)methyl]-1H-indazol-3-amine

C15H15N3 — CID 118798890

IUPAC5-[(4-methylphenyl)methyl]-1H-indazol-3-amine
SMILESCc1ccc(Cc2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C15H15N3/c1-10-2-4-11(5-3-10)8-12-6-7-14-13(9-12)15(16)18-17-14/h2-7,9H,8H2,1H3,(H3,16,17,18)
InChIKeyXVDACASJIUSOLR-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.04
Rot. Bonds2

About 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine

5-[(4-methylphenyl)methyl]-1H-indazol-3-amine (PubChem CID 118798890) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-1H-indazol-3-amine
PubChem CID118798890
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name5-[(4-methylphenyl)methyl]-1H-indazol-3-amine
SMILESCc1ccc(Cc2ccc3[nH]nc(N)c3c2)cc1
InChIInChI=1S/C15H15N3/c1-10-2-4-11(5-3-10)8-12-6-7-14-13(9-12)15(16)18-17-14/h2-7,9H,8H2,1H3,(H3,16,17,18)
InChIKeyXVDACASJIUSOLR-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine (CID 118798890) is 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine is Cc1ccc(Cc2ccc3[nH]nc(N)c3c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine?
The InChIKey is XVDACASJIUSOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-2-4-11(5-3-10)8-12-6-7-14-13(9-12)15(16)18-17-14/h2-7,9H,8H2,1H3,(H3,16,17,18).
What are the key properties of 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine?
5-[(4-methylphenyl)methyl]-1H-indazol-3-amine has a molecular weight of 237.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-1H-indazol-3-amine is sourced from PubChem (CID 118798890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).