6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine

C14H17N3O — CID 177304938

IUPAC6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine
SMILESCOc1cccc(C2(N)CCc3cn[nH]c3C2)c1
InChIInChI=1S/C14H17N3O/c1-18-12-4-2-3-11(7-12)14(15)6-5-10-9-16-17-13(10)8-14/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyUNSDWBOKGGEWHM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds2

About 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine

6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine (PubChem CID 177304938) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine
PubChem CID177304938
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine
SMILESCOc1cccc(C2(N)CCc3cn[nH]c3C2)c1
InChIInChI=1S/C14H17N3O/c1-18-12-4-2-3-11(7-12)14(15)6-5-10-9-16-17-13(10)8-14/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyUNSDWBOKGGEWHM-UHFFFAOYSA-N
XLogP1.76
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine?
The IUPAC name of 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine (CID 177304938) is 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine is COc1cccc(C2(N)CCc3cn[nH]c3C2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine?
The InChIKey is UNSDWBOKGGEWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-4-2-3-11(7-12)14(15)6-5-10-9-16-17-13(10)8-14/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine?
6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine has a molecular weight of 243.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine is sourced from PubChem (CID 177304938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).