N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine

C14H17N3 — CID 83892917

IUPACN-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCNC1CCCc2cnn(-c3ccccc3)c21
InChIInChI=1S/C14H17N3/c1-15-13-9-5-6-11-10-16-17(14(11)13)12-7-3-2-4-8-12/h2-4,7-8,10,13,15H,5-6,9H2,1H3
InChIKeyMGSVCZUVILCMAW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.47
Rot. Bonds2

About N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine

N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 83892917) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID83892917
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCNC1CCCc2cnn(-c3ccccc3)c21
InChIInChI=1S/C14H17N3/c1-15-13-9-5-6-11-10-16-17(14(11)13)12-7-3-2-4-8-12/h2-4,7-8,10,13,15H,5-6,9H2,1H3
InChIKeyMGSVCZUVILCMAW-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine (CID 83892917) is N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine is CNC1CCCc2cnn(-c3ccccc3)c21.
What is the InChIKey of N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is MGSVCZUVILCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-13-9-5-6-11-10-16-17(14(11)13)12-7-3-2-4-8-12/h2-4,7-8,10,13,15H,5-6,9H2,1H3.
What are the key properties of N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine?
N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 227.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 83892917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).