5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid

C19H25FN4O3 — CID 154920204

IUPAC5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)CC1CCC(=O)N(C)C1.O=CO
InChIInChI=1S/C18H23FN4O.CH2O2/c1-21(10-14-3-8-18(24)22(2)12-14)11-15-9-20-23(13-15)17-6-4-16(19)5-7-17;2-1-3/h4-7,9,13-14H,3,8,10-12H2,1-2H3;1H,(H,2,3)
InChIKeyOKYKPZXTCXPXJK-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.01
Rot. Bonds5

About 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid

5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid (PubChem CID 154920204) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid.

Molecular Properties

Compound Name5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
PubChem CID154920204
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)CC1CCC(=O)N(C)C1.O=CO
InChIInChI=1S/C18H23FN4O.CH2O2/c1-21(10-14-3-8-18(24)22(2)12-14)11-15-9-20-23(13-15)17-6-4-16(19)5-7-17;2-1-3/h4-7,9,13-14H,3,8,10-12H2,1-2H3;1H,(H,2,3)
InChIKeyOKYKPZXTCXPXJK-UHFFFAOYSA-N
XLogP2.01
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-3-[(4-methyl-1,4-oxazepan-6-yl)methyl]urea;formic acid
CID 154908511
5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377763
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 50965177
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 70761761
3-chloro-2-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]benzoic acid
CID 166333855
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 70712085
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid?
The IUPAC name of 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid (CID 154920204) is 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid.
What is the SMILES notation for 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid?
The canonical SMILES for 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid is CN(Cc1cnn(-c2ccc(F)cc2)c1)CC1CCC(=O)N(C)C1.O=CO.
What is the InChIKey of 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid?
The InChIKey is OKYKPZXTCXPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.CH2O2/c1-21(10-14-3-8-18(24)22(2)12-14)11-15-9-20-23(13-15)17-6-4-16(19)5-7-17;2-1-3/h4-7,9,13-14H,3,8,10-12H2,1-2H3;1H,(H,2,3).
What are the key properties of 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid?
5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid has a molecular weight of 376.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(4-fluorophenyl)pyrazol-4-yl]methyl-methylamino]methyl]-1-methylpiperidin-2-one;formic acid is sourced from PubChem (CID 154920204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).