(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone

C12H20N4O — CID 66121470

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H20N4O/c1-4-16-11(7-9(2)14-16)12(17)15-6-5-13-10(3)8-15/h7,10,13H,4-6,8H2,1-3H3
InChIKeyZMFXXLGAVNONFL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.65
Rot. Bonds2

About (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone

(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 66121470) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID66121470
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H20N4O/c1-4-16-11(7-9(2)14-16)12(17)15-6-5-13-10(3)8-15/h7,10,13H,4-6,8H2,1-3H3
InChIKeyZMFXXLGAVNONFL-UHFFFAOYSA-N
XLogP0.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428724
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
(2-ethyl-5-methylpyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone
CID 66120880
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
[2-(bromomethyl)morpholin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 81210351
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77113272
4-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63662892
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615523

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone (CID 66121470) is (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone is CCn1nc(C)cc1C(=O)N1CCNC(C)C1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is ZMFXXLGAVNONFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16-11(7-9(2)14-16)12(17)15-6-5-13-10(3)8-15/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 66121470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).