2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C13H22N4O2 — CID 43415624

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(11(2)15-14-10)9-13(19)17-5-3-16(4-6-17)7-8-18/h18H,3-9H2,1-2H3,(H,14,15)
InChIKeyBUOLSABAVNXVCF-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.29
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 43415624) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID43415624
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(11(2)15-14-10)9-13(19)17-5-3-16(4-6-17)7-8-18/h18H,3-9H2,1-2H3,(H,14,15)
InChIKeyBUOLSABAVNXVCF-UHFFFAOYSA-N
XLogP-0.29
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 43415624) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BUOLSABAVNXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-12(11(2)15-14-10)9-13(19)17-5-3-16(4-6-17)7-8-18/h18H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43415624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).