[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone

C21H20F2N4O — CID 45218235

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H20F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11-12,18,25H,2,5,10,13H2,(H,24,26)
InChIKeyRKPZIQAGRAVJLD-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.07
Rot. Bonds4

About [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone

[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 45218235) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID45218235
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H20F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11-12,18,25H,2,5,10,13H2,(H,24,26)
InChIKeyRKPZIQAGRAVJLD-UHFFFAOYSA-N
XLogP4.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70771223
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 56866332
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727322
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727323
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 45218235) is [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is RKPZIQAGRAVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-15-6-8-17(9-7-15)25-18-5-2-10-27(13-18)21(28)19-12-24-26-20(19)14-3-1-4-16(23)11-14/h1,3-4,6-9,11-12,18,25H,2,5,10,13H2,(H,24,26).
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 382.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 45218235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).