(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H26N4O — CID 66122379

IUPAC(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(CNC)CC2)n(CC)n1
InChIInChI=1S/C15H26N4O/c1-4-13-10-14(19(5-2)17-13)15(20)18-8-6-12(7-9-18)11-16-3/h10,12,16H,4-9,11H2,1-3H3
InChIKeyJWJWZUIHTIBQGF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.54
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 66122379) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID66122379
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC(CNC)CC2)n(CC)n1
InChIInChI=1S/C15H26N4O/c1-4-13-10-14(19(5-2)17-13)15(20)18-8-6-12(7-9-18)11-16-3/h10,12,16H,4-9,11H2,1-3H3
InChIKeyJWJWZUIHTIBQGF-UHFFFAOYSA-N
XLogP1.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615523
N-[(4-bromocyclohexyl)methyl]-1,3-diethylpyrazole-5-carboxamide
CID 106134795
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829
(1,3-diethylpyrazol-5-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66122565

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 66122379) is (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCC(CNC)CC2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JWJWZUIHTIBQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-13-10-14(19(5-2)17-13)15(20)18-8-6-12(7-9-18)11-16-3/h10,12,16H,4-9,11H2,1-3H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).