N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine

C17H17N3O — CID 43743374

IUPACN-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine
SMILESC=CCOc1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-2-9-21-16-7-3-13(4-8-16)11-18-15-6-5-14-12-19-20-17(14)10-15/h2-8,10,12,18H,1,9,11H2,(H,19,20)
InChIKeyAUBGQIIYAXZWAA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.74
Rot. Bonds6

About N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine

N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine (PubChem CID 43743374) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine
PubChem CID43743374
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine
SMILESC=CCOc1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-2-9-21-16-7-3-13(4-8-16)11-18-15-6-5-14-12-19-20-17(14)10-15/h2-8,10,12,18H,1,9,11H2,(H,19,20)
InChIKeyAUBGQIIYAXZWAA-UHFFFAOYSA-N
XLogP3.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
2-[3-[(1H-indazol-6-ylamino)methyl]phenoxy]acetonitrile
CID 43790594
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
3-chloro-4-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28830718
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
N-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-1H-indazol-5-amine
CID 75389930

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine (CID 43743374) is N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine is C=CCOc1ccc(CNc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is AUBGQIIYAXZWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-9-21-16-7-3-13(4-8-16)11-18-15-6-5-14-12-19-20-17(14)10-15/h2-8,10,12,18H,1,9,11H2,(H,19,20).
What are the key properties of N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine?
N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 279.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 43743374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).