(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone

C20H24N6O — CID 169284619

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(-c4ccccc4)nn3)CC2)nn1C
InChIInChI=1S/C20H24N6O/c1-15-12-18(22-24(15)2)20(27)25-10-8-16(9-11-25)13-26-14-19(21-23-26)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyBHIRYXIRLNHOPD-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.54
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 169284619) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID169284619
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(-c4ccccc4)nn3)CC2)nn1C
InChIInChI=1S/C20H24N6O/c1-15-12-18(22-24(15)2)20(27)25-10-8-16(9-11-25)13-26-14-19(21-23-26)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3
InChIKeyBHIRYXIRLNHOPD-UHFFFAOYSA-N
XLogP2.54
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 169284586
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
3-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941103
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198
1-(azetidin-3-ylmethyl)-4-phenyltriazole
CID 86262228
1,5-dimethyl-N-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 131927320
[3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 45233859
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone (CID 169284619) is (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(Cn3cc(-c4ccccc4)nn3)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BHIRYXIRLNHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-12-18(22-24(15)2)20(27)25-10-8-16(9-11-25)13-26-14-19(21-23-26)17-6-4-3-5-7-17/h3-7,12,14,16H,8-11,13H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-[(4-phenyltriazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 169284619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).