(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C17H21N7O2 — CID 126793117

IUPAC(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)n1
InChIInChI=1S/C17H21N7O2/c1-11-14(16(22(3)20-11)24-8-4-7-18-24)17(25)23-9-5-13(6-10-23)15-19-12(2)21-26-15/h4,7-8,13H,5-6,9-10H2,1-3H3
InChIKeyDYQSDMBTXVRLHN-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.63
Rot. Bonds3

About (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 126793117) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID126793117
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)n1
InChIInChI=1S/C17H21N7O2/c1-11-14(16(22(3)20-11)24-8-4-7-18-24)17(25)23-9-5-13(6-10-23)15-19-12(2)21-26-15/h4,7-8,13H,5-6,9-10H2,1-3H3
InChIKeyDYQSDMBTXVRLHN-UHFFFAOYSA-N
XLogP1.63
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129352492
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 58295851
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47894993
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55885845
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 52736004
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 126793117) is (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)n1.
What is the InChIKey of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is DYQSDMBTXVRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11-14(16(22(3)20-11)24-8-4-7-18-24)17(25)23-9-5-13(6-10-23)15-19-12(2)21-26-15/h4,7-8,13H,5-6,9-10H2,1-3H3.
What are the key properties of (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 355.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-pyrazol-1-ylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126793117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).