[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone

C18H20FN3O3 — CID 97051192

IUPAC[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C18H20FN3O3/c19-15-6-2-1-5-13(15)16-14(10-20-21-16)17(23)22-7-3-4-12(11-22)18-24-8-9-25-18/h1-2,5-6,10,12,18H,3-4,7-9,11H2,(H,20,21)/t12-/m1/s1
InChIKeyJXRRICOWSJHVMY-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.44
Rot. Bonds3

About [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone

[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 97051192) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID97051192
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1F)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C18H20FN3O3/c19-15-6-2-1-5-13(15)16-14(10-20-21-16)17(23)22-7-3-4-12(11-22)18-24-8-9-25-18/h1-2,5-6,10,12,18H,3-4,7-9,11H2,(H,20,21)/t12-/m1/s1
InChIKeyJXRRICOWSJHVMY-GFCCVEGCSA-N
XLogP2.44
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491506
[(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
(4-aminopiperidin-1-yl)-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375415
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
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)-1H-pyrazol-4-yl]-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 74235659
(2,5-dimethyl-1-phenylpyrrol-3-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 56547140
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
[5-(2-fluorophenyl)-3-pyridinyl]-(3-piperidin-4-ylpiperidin-1-yl)methanone
CID 167945248
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155492085
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 97051192) is [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1ccccc1F)N1CCC[C@@H](C2OCCO2)C1.
What is the InChIKey of [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is JXRRICOWSJHVMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-6-2-1-5-13(15)16-14(10-20-21-16)17(23)22-7-3-4-12(11-22)18-24-8-9-25-18/h1-2,5-6,10,12,18H,3-4,7-9,11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 97051192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).