propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate

C19H26N4O3 — CID 10247827

IUPACpropan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-15(2)26-19(24)23-11-9-22(10-12-23)13-14-25-17-5-3-16(4-6-17)18-7-8-20-21-18/h3-8,15H,9-14H2,1-2H3,(H,20,21)
InChIKeyKUJSVRWXNJDIOQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.62
Rot. Bonds6

About propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate

propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate (PubChem CID 10247827) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
PubChem CID10247827
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namepropan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C19H26N4O3/c1-15(2)26-19(24)23-11-9-22(10-12-23)13-14-25-17-5-3-16(4-6-17)18-7-8-20-21-18/h3-8,15H,9-14H2,1-2H3,(H,20,21)
InChIKeyKUJSVRWXNJDIOQ-UHFFFAOYSA-N
XLogP2.62
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate (CID 10247827) is propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate is CC(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is KUJSVRWXNJDIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15(2)26-19(24)23-11-9-22(10-12-23)13-14-25-17-5-3-16(4-6-17)18-7-8-20-21-18/h3-8,15H,9-14H2,1-2H3,(H,20,21).
What are the key properties of propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 10247827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).