5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine

C24H26FN5 — CID 155010111

IUPAC5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cccc(-c2cccc(F)c2)c1)c1[nH]ncc1NC(=C)C1CCNCC1
InChIInChI=1S/C24H26FN5/c1-16(18-9-11-26-12-10-18)29-23-15-27-30-24(23)17(2)28-22-8-4-6-20(14-22)19-5-3-7-21(25)13-19/h3-8,13-15,18,26,28-29H,1-2,9-12H2,(H,27,30)
InChIKeyBIIFJPOHOURASC-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.22
Rot. Bonds7

About 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine

5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine (PubChem CID 155010111) has the molecular formula C24H26FN5 and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine
PubChem CID155010111
Molecular FormulaC24H26FN5
Molecular Weight403.51 g/mol
Exact Mass403.22
IUPAC Name5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine
SMILESC=C(Nc1cccc(-c2cccc(F)c2)c1)c1[nH]ncc1NC(=C)C1CCNCC1
InChIInChI=1S/C24H26FN5/c1-16(18-9-11-26-12-10-18)29-23-15-27-30-24(23)17(2)28-22-8-4-6-20(14-22)19-5-3-7-21(25)13-19/h3-8,13-15,18,26,28-29H,1-2,9-12H2,(H,27,30)
InChIKeyBIIFJPOHOURASC-UHFFFAOYSA-N
XLogP5.22
TPSA64.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
N-(1-(3,4-difluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9967878
N-(1-isobutylpiperidin-3-yl)-1H-indazol-5-amine
CID 17838157
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
5-(2-benzylpiperazin-1-yl)-1H-indazole
CID 24782486
5-(2-phenylpiperazin-1-yl)-1H-indazole
CID 44188861

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine (CID 155010111) is 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine is C=C(Nc1cccc(-c2cccc(F)c2)c1)c1[nH]ncc1NC(=C)C1CCNCC1.
What is the InChIKey of 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine?
The InChIKey is BIIFJPOHOURASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5/c1-16(18-9-11-26-12-10-18)29-23-15-27-30-24(23)17(2)28-22-8-4-6-20(14-22)19-5-3-7-21(25)13-19/h3-8,13-15,18,26,28-29H,1-2,9-12H2,(H,27,30).
What are the key properties of 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine?
5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine has a molecular weight of 403.51 g/mol, XLogP of 5.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(3-fluorophenyl)anilino]ethenyl]-N-(1-piperidin-4-ylethenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 155010111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).