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

C16H17N3O — CID 3800069

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1C
InChIInChI=1S/C16H17N3O/c1-11-7-12(3-6-16(11)20-2)9-17-14-4-5-15-13(8-14)10-18-19-15/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyKIUOWLLOTXFSCG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.49
Rot. Bonds4

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

N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 3800069) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine
PubChem CID3800069
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(CNc2ccc3[nH]ncc3c2)cc1C
InChIInChI=1S/C16H17N3O/c1-11-7-12(3-6-16(11)20-2)9-17-14-4-5-15-13(8-14)10-18-19-15/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyKIUOWLLOTXFSCG-UHFFFAOYSA-N
XLogP3.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine (CID 3800069) is N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine is COc1ccc(CNc2ccc3[nH]ncc3c2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is KIUOWLLOTXFSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-7-12(3-6-16(11)20-2)9-17-14-4-5-15-13(8-14)10-18-19-15/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 267.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 3800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).