3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine

C14H12FN3 — CID 71190825

IUPAC3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
SMILESCNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H12FN3/c1-16-11-6-7-13-12(8-11)14(18-17-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3,(H,17,18)
InChIKeyWCKDLRYSUHLOSP-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.41
Rot. Bonds2

About 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine

3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine (PubChem CID 71190825) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
PubChem CID71190825
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
SMILESCNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H12FN3/c1-16-11-6-7-13-12(8-11)14(18-17-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3,(H,17,18)
InChIKeyWCKDLRYSUHLOSP-UHFFFAOYSA-N
XLogP3.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine (CID 71190825) is 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine is CNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine?
The InChIKey is WCKDLRYSUHLOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-16-11-6-7-13-12(8-11)14(18-17-13)9-2-4-10(15)5-3-9/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine?
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine has a molecular weight of 241.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine is sourced from PubChem (CID 71190825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).