2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

C14H26N4O — CID 45168235

IUPAC2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(C)C(CCO)C2)c1C
InChIInChI=1S/C14H26N4O/c1-4-18-12(2)13(9-15-18)10-17-7-6-16(3)14(11-17)5-8-19/h9,14,19H,4-8,10-11H2,1-3H3
InChIKeyDWKRTDRQBMPCHZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.71
Rot. Bonds5

About 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45168235) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45168235
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(C)C(CCO)C2)c1C
InChIInChI=1S/C14H26N4O/c1-4-18-12(2)13(9-15-18)10-17-7-6-16(3)14(11-17)5-8-19/h9,14,19H,4-8,10-11H2,1-3H3
InChIKeyDWKRTDRQBMPCHZ-UHFFFAOYSA-N
XLogP0.71
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 45168235) is 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is CCn1ncc(CN2CCN(C)C(CCO)C2)c1C.
What is the InChIKey of 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is DWKRTDRQBMPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-18-12(2)13(9-15-18)10-17-7-6-16(3)14(11-17)5-8-19/h9,14,19H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45168235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).