ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate

C17H21N5O3 — CID 72894246

IUPACethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)22-10-8-21(9-11-22)16(23)19-14-5-3-4-13(12-14)15-6-7-18-20-15/h3-7,12H,2,8-11H2,1H3,(H,18,20)(H,19,23)
InChIKeyCRHCUMZPVGGFHT-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.38
Rot. Bonds3

About ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate

ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate (PubChem CID 72894246) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate
PubChem CID72894246
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)22-10-8-21(9-11-22)16(23)19-14-5-3-4-13(12-14)15-6-7-18-20-15/h3-7,12H,2,8-11H2,1H3,(H,18,20)(H,19,23)
InChIKeyCRHCUMZPVGGFHT-UHFFFAOYSA-N
XLogP2.38
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate (CID 72894246) is ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is CRHCUMZPVGGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-17(24)22-10-8-21(9-11-22)16(23)19-14-5-3-4-13(12-14)15-6-7-18-20-15/h3-7,12H,2,8-11H2,1H3,(H,18,20)(H,19,23).
What are the key properties of ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate?
ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 72894246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).