3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine

C19H23N5 — CID 39219874

IUPAC3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
SMILESCN1CCN(Cc2cccc(-c3n[nH]c4cccc(N)c34)c2)CC1
InChIInChI=1S/C19H23N5/c1-23-8-10-24(11-9-23)13-14-4-2-5-15(12-14)19-18-16(20)6-3-7-17(18)21-22-19/h2-7,12H,8-11,13,20H2,1H3,(H,21,22)
InChIKeyGQYFYQBXBSULET-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.56
Rot. Bonds3

About 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine

3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine (PubChem CID 39219874) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
PubChem CID39219874
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
SMILESCN1CCN(Cc2cccc(-c3n[nH]c4cccc(N)c34)c2)CC1
InChIInChI=1S/C19H23N5/c1-23-8-10-24(11-9-23)13-14-4-2-5-15(12-14)19-18-16(20)6-3-7-17(18)21-22-19/h2-7,12H,8-11,13,20H2,1H3,(H,21,22)
InChIKeyGQYFYQBXBSULET-UHFFFAOYSA-N
XLogP2.56
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine?
The IUPAC name of 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine (CID 39219874) is 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine.
What is the SMILES notation for 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine?
The canonical SMILES for 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine is CN1CCN(Cc2cccc(-c3n[nH]c4cccc(N)c34)c2)CC1.
What is the InChIKey of 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine?
The InChIKey is GQYFYQBXBSULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23-8-10-24(11-9-23)13-14-4-2-5-15(12-14)19-18-16(20)6-3-7-17(18)21-22-19/h2-7,12H,8-11,13,20H2,1H3,(H,21,22).
What are the key properties of 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine?
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine has a molecular weight of 321.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine is sourced from PubChem (CID 39219874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).