(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C13H22N4O — CID 81428724

IUPAC(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN[C@H](C)C2)n(CC)n1
InChIInChI=1S/C13H22N4O/c1-4-11-8-12(17(5-2)15-11)13(18)16-7-6-14-10(3)9-16/h8,10,14H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKQVWYHOWTJINKQ-SNVBAGLBSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds3

About (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428724) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81428724
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN[C@H](C)C2)n(CC)n1
InChIInChI=1S/C13H22N4O/c1-4-11-8-12(17(5-2)15-11)13(18)16-7-6-14-10(3)9-16/h8,10,14H,4-7,9H2,1-3H3/t10-/m1/s1
InChIKeyKQVWYHOWTJINKQ-SNVBAGLBSA-N
XLogP0.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 102679909
1-(1,3-diethylpyrazole-5-carbonyl)piperidin-4-one
CID 66121196
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 114802193
[2-(chloromethyl)morpholin-4-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 81210449
(1,3-diethylpyrazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 66122379
(3-amino-3-methylazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121428
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66122570
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81428724) is (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN[C@H](C)C2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is KQVWYHOWTJINKQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-8-12(17(5-2)15-11)13(18)16-7-6-14-10(3)9-16/h8,10,14H,4-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 0.90, 3 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)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).