[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C21H20N8O — CID 51494017

IUPAC[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1
InChIInChI=1S/C21H20N8O/c30-21(16-3-1-5-18(11-16)29-14-24-26-27-29)28-10-2-4-17(13-28)20-19(12-23-25-20)15-6-8-22-9-7-15/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,23,25)/t17-/m1/s1
InChIKeyVQQIOEVVAOJRPB-QGZVFWFLSA-N
MW400.45 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 51494017) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID51494017
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1
InChIInChI=1S/C21H20N8O/c30-21(16-3-1-5-18(11-16)29-14-24-26-27-29)28-10-2-4-17(13-28)20-19(12-23-25-20)15-6-8-22-9-7-15/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,23,25)/t17-/m1/s1
InChIKeyVQQIOEVVAOJRPB-QGZVFWFLSA-N
XLogP2.47
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 42213954
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 110214007
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
[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
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 16670929

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 51494017) is [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1.
What is the InChIKey of [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is VQQIOEVVAOJRPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N8O/c30-21(16-3-1-5-18(11-16)29-14-24-26-27-29)28-10-2-4-17(13-28)20-19(12-23-25-20)15-6-8-22-9-7-15/h1,3,5-9,11-12,14,17H,2,4,10,13H2,(H,23,25)/t17-/m1/s1.
What are the key properties of [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 400.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 51494017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).