(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone

C17H21N3O2 — CID 155954055

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-12-15(16(18-19)22-2)17(21)20-10-8-14(9-11-20)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyQLPJSIRQOGVIPZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.45
Rot. Bonds3

About (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone

(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 155954055) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID155954055
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-12-15(16(18-19)22-2)17(21)20-10-8-14(9-11-20)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyQLPJSIRQOGVIPZ-UHFFFAOYSA-N
XLogP2.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
(3-methoxy-1-methylpyrazol-4-yl)-(3-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 131703866
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 99903022
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 75355259
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone (CID 155954055) is (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is QLPJSIRQOGVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-12-15(16(18-19)22-2)17(21)20-10-8-14(9-11-20)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone?
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 155954055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).