3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile

C20H19FN6O2 — CID 121305676

IUPAC3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESCn1cc(C(=O)N2CCCC(c3[nH]ncc3Oc3ccc(C#N)cc3F)C2)cn1
InChIInChI=1S/C20H19FN6O2/c1-26-11-15(9-24-26)20(28)27-6-2-3-14(12-27)19-18(10-23-25-19)29-17-5-4-13(8-22)7-16(17)21/h4-5,7,9-11,14H,2-3,6,12H2,1H3,(H,23,25)
InChIKeyKYHPPKUEROHTCY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.97
Rot. Bonds4

About 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile

3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile (PubChem CID 121305676) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile
PubChem CID121305676
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESCn1cc(C(=O)N2CCCC(c3[nH]ncc3Oc3ccc(C#N)cc3F)C2)cn1
InChIInChI=1S/C20H19FN6O2/c1-26-11-15(9-24-26)20(28)27-6-2-3-14(12-27)19-18(10-23-25-19)29-17-5-4-13(8-22)7-16(17)21/h4-5,7,9-11,14H,2-3,6,12H2,1H3,(H,23,25)
InChIKeyKYHPPKUEROHTCY-UHFFFAOYSA-N
XLogP2.97
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(1-acetylpiperidin-3-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305741
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
3-methoxy-4-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methoxy]benzonitrile
CID 155918127
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile (CID 121305676) is 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile is Cn1cc(C(=O)N2CCCC(c3[nH]ncc3Oc3ccc(C#N)cc3F)C2)cn1.
What is the InChIKey of 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The InChIKey is KYHPPKUEROHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-26-11-15(9-24-26)20(28)27-6-2-3-14(12-27)19-18(10-23-25-19)29-17-5-4-13(8-22)7-16(17)21/h4-5,7,9-11,14H,2-3,6,12H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile?
3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile has a molecular weight of 394.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]oxy]benzonitrile is sourced from PubChem (CID 121305676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).