[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone

C18H23FN4O — CID 67090059

IUPAC[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@@H]1CCCCN1C(=O)c1nn(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-20-11-15-5-3-4-10-23(15)18(24)17-16(12-22(2)21-17)13-6-8-14(19)9-7-13/h6-9,12,15,20H,3-5,10-11H2,1-2H3/t15-/m0/s1
InChIKeyLVKCQVBQAIYZMK-HNNXBMFYSA-N
MW330.41 g/mol
LogP2.44
Rot. Bonds4

About [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 67090059) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID67090059
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@@H]1CCCCN1C(=O)c1nn(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-20-11-15-5-3-4-10-23(15)18(24)17-16(12-22(2)21-17)13-6-8-14(19)9-7-13/h6-9,12,15,20H,3-5,10-11H2,1-2H3/t15-/m0/s1
InChIKeyLVKCQVBQAIYZMK-HNNXBMFYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 67090353
[2-[(S)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 69372507
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649559
(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 102811060
[(2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 67090522
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 55168737
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[2-(4-fluorophenyl)triazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650333
(4-amino-1-methylpyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633791
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648651
(2-bromo-4-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484404

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone (CID 67090059) is [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone is CNC[C@@H]1CCCCN1C(=O)c1nn(C)cc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is LVKCQVBQAIYZMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-20-11-15-5-3-4-10-23(15)18(24)17-16(12-22(2)21-17)13-6-8-14(19)9-7-13/h6-9,12,15,20H,3-5,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[(2S)-2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 67090059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).