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

C16H19FN4O — CID 119562475

IUPAC[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1
InChIInChI=1S/C16H19FN4O/c1-18-11-6-8-21(9-7-11)16(22)13-10-19-20-15(13)12-4-2-3-5-14(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20)
InChIKeyYVIKZCHFTVWHEC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.04
Rot. Bonds3

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

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562475) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562475
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1
InChIInChI=1S/C16H19FN4O/c1-18-11-6-8-21(9-7-11)16(22)13-10-19-20-15(13)12-4-2-3-5-14(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20)
InChIKeyYVIKZCHFTVWHEC-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
[(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
[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 97051192
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 74235659
2-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50973625
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
(3S)-1-[5-(2,6-difluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610704
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone (CID 119562475) is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cn[nH]c2-c2ccccc2F)CC1.
What is the InChIKey of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is YVIKZCHFTVWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-18-11-6-8-21(9-7-11)16(22)13-10-19-20-15(13)12-4-2-3-5-14(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20).
What are the key properties of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone?
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 2.04, 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]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).