N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine

C18H17F2N3 — CID 167851348

IUPACN-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(NC/C=C/c3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H17F2N3/c1-12-16-8-7-15(11-18(16)23(2)22-12)21-9-3-4-13-5-6-14(19)10-17(13)20/h3-8,10-11,21H,9H2,1-2H3/b4-3+
InChIKeyZFZVEOOESLICLM-ONEGZZNKSA-N
MW313.35 g/mol
LogP4.29
Rot. Bonds4

About N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine

N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine (PubChem CID 167851348) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine.

Molecular Properties

Compound NameN-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine
PubChem CID167851348
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC NameN-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine
SMILESCc1nn(C)c2cc(NC/C=C/c3ccc(F)cc3F)ccc12
InChIInChI=1S/C18H17F2N3/c1-12-16-8-7-15(11-18(16)23(2)22-12)21-9-3-4-13-5-6-14(19)10-17(13)20/h3-8,10-11,21H,9H2,1-2H3/b4-3+
InChIKeyZFZVEOOESLICLM-ONEGZZNKSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine?
The IUPAC name of N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine (CID 167851348) is N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine.
What is the SMILES notation for N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine?
The canonical SMILES for N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine is Cc1nn(C)c2cc(NC/C=C/c3ccc(F)cc3F)ccc12.
What is the InChIKey of N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine?
The InChIKey is ZFZVEOOESLICLM-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-12-16-8-7-15(11-18(16)23(2)22-12)21-9-3-4-13-5-6-14(19)10-17(13)20/h3-8,10-11,21H,9H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine?
N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine has a molecular weight of 313.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-1,3-dimethylindazol-6-amine is sourced from PubChem (CID 167851348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).