[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H24ClFN4O — CID 119491020

IUPAC[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)C1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-12-17(18(24)22-10-4-5-15(11-22)20-3)13(2)23(21-12)16-8-6-14(19)7-9-16;/h6-9,15,20H,4-5,10-11H2,1-3H3;1H
InChIKeyJRRXRGGTNJFDHL-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.87
Rot. Bonds3

About [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491020) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491020
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)C1.Cl
InChIInChI=1S/C18H23FN4O.ClH/c1-12-17(18(24)22-10-4-5-15(11-22)20-3)13(2)23(21-12)16-8-6-14(19)7-9-16;/h6-9,15,20H,4-5,10-11H2,1-3H3;1H
InChIKeyJRRXRGGTNJFDHL-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 119595022
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 55568581
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
CID 124574819
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 27257536
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 97065528

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491020) is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)C1.Cl.
What is the InChIKey of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is JRRXRGGTNJFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O.ClH/c1-12-17(18(24)22-10-4-5-15(11-22)20-3)13(2)23(21-12)16-8-6-14(19)7-9-16;/h6-9,15,20H,4-5,10-11H2,1-3H3;1H.
What are the key properties of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).