[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H19ClN4O — CID 95840214

IUPAC[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24)/t15-/m0/s1
InChIKeyCZHABKGPJUQSMH-HNNXBMFYSA-N
MW366.85 g/mol
LogP4.14
Rot. Bonds3

About [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 95840214) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID95840214
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24)/t15-/m0/s1
InChIKeyCZHABKGPJUQSMH-HNNXBMFYSA-N
XLogP4.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110266472
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
1-[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-(N-methylanilino)butan-1-one
CID 110268818
3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 95840214) is [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is CZHABKGPJUQSMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-8-6-14(7-9-16)17-12-23-24-19(17)15-4-3-11-25(13-15)20(26)18-5-1-2-10-22-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,23,24)/t15-/m0/s1.
What are the key properties of [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 366.85 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95840214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).