[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone

C17H17N5OS — CID 110214007

IUPAC[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)N1CCCC(c2[nH]ncc2-c2ccncc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(14-8-20-24-11-14)22-7-1-2-13(10-22)16-15(9-19-21-16)12-3-5-18-6-4-12/h3-6,8-9,11,13H,1-2,7,10H2,(H,19,21)
InChIKeyGXSIIHATMQPWLT-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.95
Rot. Bonds3

About [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone

[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (PubChem CID 110214007) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
PubChem CID110214007
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)N1CCCC(c2[nH]ncc2-c2ccncc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(14-8-20-24-11-14)22-7-1-2-13(10-22)16-15(9-19-21-16)12-3-5-18-6-4-12/h3-6,8-9,11,13H,1-2,7,10H2,(H,19,21)
InChIKeyGXSIIHATMQPWLT-UHFFFAOYSA-N
XLogP2.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 51494017
[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-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 16670929
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone (CID 110214007) is [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is O=C(c1cnsc1)N1CCCC(c2[nH]ncc2-c2ccncc2)C1.
What is the InChIKey of [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
The InChIKey is GXSIIHATMQPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(14-8-20-24-11-14)22-7-1-2-13(10-22)16-15(9-19-21-16)12-3-5-18-6-4-12/h3-6,8-9,11,13H,1-2,7,10H2,(H,19,21).
What are the key properties of [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone?
[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 110214007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).