N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine

C21H19F2N5 — CID 175211816

IUPACN-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
SMILESCC(Nc1ccc2[nH]nc(/C=C/c3cnn(C)c3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N5/c1-13(15-7-16(22)9-17(23)8-15)25-18-4-6-21-19(10-18)20(26-27-21)5-3-14-11-24-28(2)12-14/h3-13,25H,1-2H3,(H,26,27)/b5-3+
InChIKeyWPJYABFMIGJCMD-HWKANZROSA-N
MW379.41 g/mol
LogP4.92
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine

N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine (PubChem CID 175211816) has the molecular formula C21H19F2N5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
PubChem CID175211816
Molecular FormulaC21H19F2N5
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine
SMILESCC(Nc1ccc2[nH]nc(/C=C/c3cnn(C)c3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N5/c1-13(15-7-16(22)9-17(23)8-15)25-18-4-6-21-19(10-18)20(26-27-21)5-3-14-11-24-28(2)12-14/h3-13,25H,1-2H3,(H,26,27)/b5-3+
InChIKeyWPJYABFMIGJCMD-HWKANZROSA-N
XLogP4.92
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine (CID 175211816) is N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine is CC(Nc1ccc2[nH]nc(/C=C/c3cnn(C)c3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
The InChIKey is WPJYABFMIGJCMD-HWKANZROSA-N. The full InChI is InChI=1S/C21H19F2N5/c1-13(15-7-16(22)9-17(23)8-15)25-18-4-6-21-19(10-18)20(26-27-21)5-3-14-11-24-28(2)12-14/h3-13,25H,1-2H3,(H,26,27)/b5-3+.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine?
N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine has a molecular weight of 379.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-amine is sourced from PubChem (CID 175211816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).