N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine

C15H15N3O — CID 155510532

IUPACN-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
SMILESCOc1ccc(CNc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H15N3O/c1-19-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-18-15/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyRCYVQEBSKGJRGV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine

N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine (PubChem CID 155510532) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
PubChem CID155510532
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
SMILESCOc1ccc(CNc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H15N3O/c1-19-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-18-15/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyRCYVQEBSKGJRGV-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine (CID 155510532) is N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine is COc1ccc(CNc2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The InChIKey is RCYVQEBSKGJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-18-15/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine is sourced from PubChem (CID 155510532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).