ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate

C17H22N4O3 — CID 11348074

IUPACethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(COc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-23-17(22)21-11-9-20(10-12-21)13-24-15-5-3-14(4-6-15)16-7-8-18-19-16/h3-8H,2,9-13H2,1H3,(H,18,19)
InChIKeyDHIGORPLXZGMPX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.19
Rot. Bonds5

About ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate

ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate (PubChem CID 11348074) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate
PubChem CID11348074
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(COc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-23-17(22)21-11-9-20(10-12-21)13-24-15-5-3-14(4-6-15)16-7-8-18-19-16/h3-8H,2,9-13H2,1H3,(H,18,19)
InChIKeyDHIGORPLXZGMPX-UHFFFAOYSA-N
XLogP2.19
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate (CID 11348074) is ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(COc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate?
The InChIKey is DHIGORPLXZGMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-23-17(22)21-11-9-20(10-12-21)13-24-15-5-3-14(4-6-15)16-7-8-18-19-16/h3-8H,2,9-13H2,1H3,(H,18,19).
What are the key properties of ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate?
ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 11348074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).