N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine

C15H14ClN3O — CID 60696450

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14ClN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyPTYAVQPFXQZQGB-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.84
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine (PubChem CID 60696450) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine
PubChem CID60696450
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine
SMILESCOc1ccc(Cl)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H14ClN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyPTYAVQPFXQZQGB-UHFFFAOYSA-N
XLogP3.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine (CID 60696450) is N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine is COc1ccc(Cl)cc1CNc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is PTYAVQPFXQZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-15-5-2-12(16)6-11(15)8-17-13-3-4-14-10(7-13)9-18-19-14/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 287.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 60696450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).