[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

C20H28N4O — CID 42818288

IUPAC[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(CC)CC2)c(C)nn1-c1ccccc1C
InChIInChI=1S/C20H28N4O/c1-5-17-19(20(25)23-13-11-22(6-2)12-14-23)16(4)21-24(17)18-10-8-7-9-15(18)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeySUSAKNWWTXGELE-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.83
Rot. Bonds4

About [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone

[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42818288) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42818288
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(CC)CC2)c(C)nn1-c1ccccc1C
InChIInChI=1S/C20H28N4O/c1-5-17-19(20(25)23-13-11-22(6-2)12-14-23)16(4)21-24(17)18-10-8-7-9-15(18)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeySUSAKNWWTXGELE-UHFFFAOYSA-N
XLogP2.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
5-ethyl-1-(2-methylphenyl)-N-propan-2-yl-3-propylpyrazole-4-carboxamide
CID 42818413
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42692541
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42817686
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
ethyl 4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]carbamoyl]piperazine-1-carboxylate
CID 72841399
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
(4-ethylpiperazin-1-yl)-(3-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)methanone
CID 129045823

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42818288) is [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(CC)CC2)c(C)nn1-c1ccccc1C.
What is the InChIKey of [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is SUSAKNWWTXGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-17-19(20(25)23-13-11-22(6-2)12-14-23)16(4)21-24(17)18-10-8-7-9-15(18)3/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 340.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-methyl-1-(2-methylphenyl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42818288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).