N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C17H23N3O2 — CID 56812600

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1
InChIInChI=1S/C17H23N3O2/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3/h7-9,11,16,18H,4-6,10H2,1-3H3
InChIKeySFMPBSZHYVRFEG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 56812600) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID56812600
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1
InChIInChI=1S/C17H23N3O2/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3/h7-9,11,16,18H,4-6,10H2,1-3H3
InChIKeySFMPBSZHYVRFEG-UHFFFAOYSA-N
XLogP2.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 56812600) is N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is COc1cc(CNC2CCCc3c2cnn3C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SFMPBSZHYVRFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20-17-6-4-5-16(15(17)11-19-20)18-10-12-7-13(21-2)9-14(8-12)22-3/h7-9,11,16,18H,4-6,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 56812600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).