3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine

C13H11FN4 — CID 69074655

IUPAC3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
SMILESNc1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C13H11FN4/c14-8-1-4-10(5-2-8)16-13-11-7-9(15)3-6-12(11)17-18-13/h1-7H,15H2,(H2,16,17,18)
InChIKeyZCPDRKBOWHROHV-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.03
Rot. Bonds2

About 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine

3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine (PubChem CID 69074655) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
PubChem CID69074655
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
SMILESNc1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C13H11FN4/c14-8-1-4-10(5-2-8)16-13-11-7-9(15)3-6-12(11)17-18-13/h1-7H,15H2,(H2,16,17,18)
InChIKeyZCPDRKBOWHROHV-UHFFFAOYSA-N
XLogP3.03
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-phenyl-1H-indazole-3,5-diamine
CID 89172388
4-N-(1H-indazol-3-yl)benzene-1,4-diamine
CID 142650231
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine
CID 137377472
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
N-(3,4-dimethoxyphenyl)-6-fluoro-1H-indazol-3-amine
CID 162651967
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
CID 87388058
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine (CID 69074655) is 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine is Nc1ccc2[nH]nc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine?
The InChIKey is ZCPDRKBOWHROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-8-1-4-10(5-2-8)16-13-11-7-9(15)3-6-12(11)17-18-13/h1-7H,15H2,(H2,16,17,18).
What are the key properties of 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine?
3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine has a molecular weight of 242.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine is sourced from PubChem (CID 69074655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).