1-(3-phenylpropyl)indazol-3-amine

C16H17N3 — CID 62687133

IUPAC1-(3-phenylpropyl)indazol-3-amine
SMILESNc1nn(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C16H17N3/c17-16-14-10-4-5-11-15(14)19(18-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,17,18)
InChIKeyUERMUPJHTACGPU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.25
Rot. Bonds4

About 1-(3-phenylpropyl)indazol-3-amine

1-(3-phenylpropyl)indazol-3-amine (PubChem CID 62687133) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-phenylpropyl)indazol-3-amine.

Molecular Properties

Compound Name1-(3-phenylpropyl)indazol-3-amine
PubChem CID62687133
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(3-phenylpropyl)indazol-3-amine
SMILESNc1nn(CCCc2ccccc2)c2ccccc12
InChIInChI=1S/C16H17N3/c17-16-14-10-4-5-11-15(14)19(18-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,17,18)
InChIKeyUERMUPJHTACGPU-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylindazol-3-amine
CID 62686774
1-nonylindazol-3-amine
CID 63489930
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
1-(2-pyrazol-1-ylethyl)indazol-3-amine
CID 62687152
1-(2-ethoxyethyl)indazol-3-amine
CID 62687666
1-(2-tert-butylsulfonylethyl)indazol-3-amine
CID 106729521
1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
CID 62685871
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
3,5-dibromo-1-(3-phenylpropyl)-1,2,4-triazole
CID 56604593
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
3-[5-amino-1-(3-phenylpropyl)pyrazol-4-yl]propan-1-ol
CID 55184716

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)indazol-3-amine?
The IUPAC name of 1-(3-phenylpropyl)indazol-3-amine (CID 62687133) is 1-(3-phenylpropyl)indazol-3-amine.
What is the SMILES notation for 1-(3-phenylpropyl)indazol-3-amine?
The canonical SMILES for 1-(3-phenylpropyl)indazol-3-amine is Nc1nn(CCCc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(3-phenylpropyl)indazol-3-amine?
The InChIKey is UERMUPJHTACGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c17-16-14-10-4-5-11-15(14)19(18-16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H2,17,18).
What are the key properties of 1-(3-phenylpropyl)indazol-3-amine?
1-(3-phenylpropyl)indazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)indazol-3-amine is sourced from PubChem (CID 62687133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).