(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone

C13H22N4O2 — CID 102955052

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC(OC)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-4-10-11(14)12(16(2)15-10)13(18)17-7-5-6-9(8-17)19-3/h9H,4-8,14H2,1-3H3
InChIKeyJEIQZLZXFRJNFM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.82
Rot. Bonds3

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102955052) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID102955052
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCCC(OC)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-4-10-11(14)12(16(2)15-10)13(18)17-7-5-6-9(8-17)19-3/h9H,4-8,14H2,1-3H3
InChIKeyJEIQZLZXFRJNFM-UHFFFAOYSA-N
XLogP0.82
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504933
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylmorpholin-4-yl)methanone
CID 66124511
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1,4-thiazepan-4-yl)methanone
CID 66123388
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205766
7-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095534
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 66125702
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
CID 66124902
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 66116549
2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 106203640

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone (CID 102955052) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone is CCc1nn(C)c(C(=O)N2CCCC(OC)C2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is JEIQZLZXFRJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-10-11(14)12(16(2)15-10)13(18)17-7-5-6-9(8-17)19-3/h9H,4-8,14H2,1-3H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102955052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).