methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate

C11H18N4O2 — CID 83898084

IUPACmethyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CCN1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-17-11(16)10-9(8-13-14-10)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyMUGSSQVCQJPBAX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds4

About methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate

methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate (PubChem CID 83898084) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate
PubChem CID83898084
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CCN1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-17-11(16)10-9(8-13-14-10)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyMUGSSQVCQJPBAX-UHFFFAOYSA-N
XLogP-0.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate (CID 83898084) is methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1CCN1CCNCC1.
What is the InChIKey of methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate?
The InChIKey is MUGSSQVCQJPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-11(16)10-9(8-13-14-10)2-5-15-6-3-12-4-7-15/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate?
methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 83898084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).