1-[(3,5-dimethylphenyl)methyl]indazol-3-amine

C16H17N3 — CID 62685871

IUPAC1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
SMILESCc1cc(C)cc(Cn2nc(N)c3ccccc32)c1
InChIInChI=1S/C16H17N3/c1-11-7-12(2)9-13(8-11)10-19-15-6-4-3-5-14(15)16(17)18-19/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyWDVVVCWWVBXYAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine

1-[(3,5-dimethylphenyl)methyl]indazol-3-amine (PubChem CID 62685871) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
PubChem CID62685871
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
SMILESCc1cc(C)cc(Cn2nc(N)c3ccccc32)c1
InChIInChI=1S/C16H17N3/c1-11-7-12(2)9-13(8-11)10-19-15-6-4-3-5-14(15)16(17)18-19/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyWDVVVCWWVBXYAD-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
CID 73504559
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-[(2-methyltetrazol-5-yl)methyl]indazole
CID 73504558
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-N'-phenylurea
CID 2812681
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
1-Cyclohexyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 599772
5-(1-Benzyl-5-cyclopropyl-1h-1,2,3-triazol-4-yl)-1h-indazol-3-amine
CID 25165086
5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazol-3-amine
CID 49830432

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine (CID 62685871) is 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine is Cc1cc(C)cc(Cn2nc(N)c3ccccc32)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine?
The InChIKey is WDVVVCWWVBXYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-7-12(2)9-13(8-11)10-19-15-6-4-3-5-14(15)16(17)18-19/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine?
1-[(3,5-dimethylphenyl)methyl]indazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]indazol-3-amine is sourced from PubChem (CID 62685871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).