1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine

C18H19FN4 — CID 45215486

IUPAC1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccccn2)cnn1-c1cccc(F)c1
InChIInChI=1S/C18H19FN4/c1-13(21-11-16-7-3-4-9-20-16)18-12-22-23(14(18)2)17-8-5-6-15(19)10-17/h3-10,12-13,21H,11H2,1-2H3
InChIKeyWIKYFUMZOCWILE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.57
Rot. Bonds5

About 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine

1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 45215486) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID45215486
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccccn2)cnn1-c1cccc(F)c1
InChIInChI=1S/C18H19FN4/c1-13(21-11-16-7-3-4-9-20-16)18-12-22-23(14(18)2)17-8-5-6-15(19)10-17/h3-10,12-13,21H,11H2,1-2H3
InChIKeyWIKYFUMZOCWILE-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 94962214
(1S)-N-[(2,5-dimethylphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25299151
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25364114
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45219984
1-[3-[[[(1R)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25481660
2-chloro-4-[[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]methyl]phenol
CID 45200316
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 45231274
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43201499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine (CID 45215486) is 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine is Cc1c(C(C)NCc2ccccn2)cnn1-c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is WIKYFUMZOCWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13(21-11-16-7-3-4-9-20-16)18-12-22-23(14(18)2)17-8-5-6-15(19)10-17/h3-10,12-13,21H,11H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 45215486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).