[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

C22H22N6O — CID 154842099

IUPAC[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n[nH]1
InChIInChI=1S/C22H22N6O/c1-14-23-21(27-24-14)18-7-4-10-28(13-18)22(29)20-12-19(25-26-20)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyFIIVXUDNNFUQBB-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.68
Rot. Bonds3

About [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone

[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (PubChem CID 154842099) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
PubChem CID154842099
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n[nH]1
InChIInChI=1S/C22H22N6O/c1-14-23-21(27-24-14)18-7-4-10-28(13-18)22(29)20-12-19(25-26-20)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3,(H,25,26)(H,23,24,27)
InChIKeyFIIVXUDNNFUQBB-UHFFFAOYSA-N
XLogP3.68
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316
[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone
CID 154850370
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
[2-(dimethylamino)phenyl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86284052
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
(3-naphthalen-2-yl-1H-pyrazol-5-yl)-[4-(triazol-1-yl)azepan-1-yl]methanone
CID 166250141
(5-bromothiophen-3-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127476732
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(3-phenoxypiperidin-1-yl)methanone
CID 154850398
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 154833106
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone (CID 154842099) is [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is Cc1nc(C2CCCN(C(=O)c3cc(-c4ccc5ccccc5c4)n[nH]3)C2)n[nH]1.
What is the InChIKey of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is FIIVXUDNNFUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-23-21(27-24-14)18-7-4-10-28(13-18)22(29)20-12-19(25-26-20)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11-12,18H,4,7,10,13H2,1H3,(H,25,26)(H,23,24,27).
What are the key properties of [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone?
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 386.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(3-naphthalen-2-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 154842099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).