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

C18H19FN4 — CID 94962214

IUPAC(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c([C@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-13(21-11-16-5-3-4-10-20-16)18-12-22-23(14(18)2)17-8-6-15(19)7-9-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1
InChIKeyKWKVMKBNYKIMRY-ZDUSSCGKSA-N
MW310.38 g/mol
LogP3.57
Rot. Bonds5

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

(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 94962214) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID94962214
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1c([C@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4/c1-13(21-11-16-5-3-4-10-20-16)18-12-22-23(14(18)2)17-8-6-15(19)7-9-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1
InChIKeyKWKVMKBNYKIMRY-ZDUSSCGKSA-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

Analyze (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 45215486
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 94962216
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 45226568
1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45219969
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 42460983
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43201499
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 25384796
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 61271924

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine (CID 94962214) is (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine is Cc1c([C@H](C)NCc2ccccn2)cnn1-c1ccc(F)cc1.
What is the InChIKey of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is KWKVMKBNYKIMRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13(21-11-16-5-3-4-10-20-16)18-12-22-23(14(18)2)17-8-6-15(19)7-9-17/h3-10,12-13,21H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine?
(1S)-1-[1-(4-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 (1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 94962214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).