2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine

C20H23FN4 — CID 56892256

IUPAC2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine
SMILESCN(Cc1cccc(CCN)c1)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4/c1-24(13-17-4-2-3-16(11-17)9-10-22)14-18-12-23-25(15-18)20-7-5-19(21)6-8-20/h2-8,11-12,15H,9-10,13-14,22H2,1H3
InChIKeyBBZHTEUAYIAXTG-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.14
Rot. Bonds7

About 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine

2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine (PubChem CID 56892256) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine
PubChem CID56892256
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine
SMILESCN(Cc1cccc(CCN)c1)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4/c1-24(13-17-4-2-3-16(11-17)9-10-22)14-18-12-23-25(15-18)20-7-5-19(21)6-8-20/h2-8,11-12,15H,9-10,13-14,22H2,1H3
InChIKeyBBZHTEUAYIAXTG-UHFFFAOYSA-N
XLogP3.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
Fezolamine
CID 54567
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]urea
CID 6895242
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine (CID 56892256) is 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine is CN(Cc1cccc(CCN)c1)Cc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine?
The InChIKey is BBZHTEUAYIAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-24(13-17-4-2-3-16(11-17)9-10-22)14-18-12-23-25(15-18)20-7-5-19(21)6-8-20/h2-8,11-12,15H,9-10,13-14,22H2,1H3.
What are the key properties of 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine?
2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine has a molecular weight of 338.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]phenyl]ethanamine is sourced from PubChem (CID 56892256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).