[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C18H20N6O — CID 119103853

IUPAC[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCn1ccc(C2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C18H20N6O/c1-22-11-9-16(20-22)14-6-5-10-23(13-14)18(25)17-12-19-24(21-17)15-7-3-2-4-8-15/h2-4,7-9,11-12,14H,5-6,10,13H2,1H3
InChIKeyMXKDLLYULUYGIW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.02
Rot. Bonds3

About [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 119103853) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID119103853
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCn1ccc(C2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C18H20N6O/c1-22-11-9-16(20-22)14-6-5-10-23(13-14)18(25)17-12-19-24(21-17)15-7-3-2-4-8-15/h2-4,7-9,11-12,14H,5-6,10,13H2,1H3
InChIKeyMXKDLLYULUYGIW-UHFFFAOYSA-N
XLogP2.02
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 8849883
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
4-cyclopropyl-2-(2-methoxyethyl)-5-[1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 121115652
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 129356851
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056
1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230
5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 119103853) is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is Cn1ccc(C2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1.
What is the InChIKey of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is MXKDLLYULUYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-11-9-16(20-22)14-6-5-10-23(13-14)18(25)17-12-19-24(21-17)15-7-3-2-4-8-15/h2-4,7-9,11-12,14H,5-6,10,13H2,1H3.
What are the key properties of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 119103853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).