(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone

C12H19N3O2 — CID 43582071

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)12(16)15-6-4-10(17-3)5-7-15/h10H,4-7H2,1-3H3,(H,13,14)
InChIKeyLQQDFXLFUBJZON-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds2

About (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone

(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 43582071) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID43582071
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)12(16)15-6-4-10(17-3)5-7-15/h10H,4-7H2,1-3H3,(H,13,14)
InChIKeyLQQDFXLFUBJZON-UHFFFAOYSA-N
XLogP1.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238132
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
1-[4-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003136
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 106673072
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899312
2-(4-methoxypiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428744
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 104976335
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123584
(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 115617368
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 121017735
(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 103575800

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone (CID 43582071) is (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is LQQDFXLFUBJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)12(16)15-6-4-10(17-3)5-7-15/h10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone?
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 43582071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).