[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C16H20ClFN4O — CID 119491506

IUPAC[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-18-11-5-4-8-21(10-11)16(22)13-9-19-20-15(13)12-6-2-3-7-14(12)17;/h2-3,6-7,9,11,18H,4-5,8,10H2,1H3,(H,19,20);1H
InChIKeyNQMTXTAUQUWUEG-UHFFFAOYSA-N
MW338.81 g/mol
LogP2.46
Rot. Bonds3

About [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491506) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491506
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1.Cl
InChIInChI=1S/C16H19FN4O.ClH/c1-18-11-5-4-8-21(10-11)16(22)13-9-19-20-15(13)12-6-2-3-7-14(12)17;/h2-3,6-7,9,11,18H,4-5,8,10H2,1H3,(H,19,20);1H
InChIKeyNQMTXTAUQUWUEG-UHFFFAOYSA-N
XLogP2.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 97051192
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 120658572
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 74235659
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
[1-(2-fluorophenyl)pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487860
2-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50973625
[2-(2-fluoroanilino)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487525

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491506) is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1.Cl.
What is the InChIKey of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is NQMTXTAUQUWUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O.ClH/c1-18-11-5-4-8-21(10-11)16(22)13-9-19-20-15(13)12-6-2-3-7-14(12)17;/h2-3,6-7,9,11,18H,4-5,8,10H2,1H3,(H,19,20);1H.
What are the key properties of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).