ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C14H23N5O3 — CID 36800258

IUPACethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C14H23N5O3/c1-4-22-14(21)19-7-5-18(6-8-19)10-13(20)15-12-9-11(2)16-17(12)3/h9H,4-8,10H2,1-3H3,(H,15,20)
InChIKeyRXWWKNDAIGKFIT-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.44
Rot. Bonds4

About ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 36800258) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID36800258
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nameethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C14H23N5O3/c1-4-22-14(21)19-7-5-18(6-8-19)10-13(20)15-12-9-11(2)16-17(12)3/h9H,4-8,10H2,1-3H3,(H,15,20)
InChIKeyRXWWKNDAIGKFIT-UHFFFAOYSA-N
XLogP0.44
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 36800258) is ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2C)CC1.
What is the InChIKey of ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is RXWWKNDAIGKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-4-22-14(21)19-7-5-18(6-8-19)10-13(20)15-12-9-11(2)16-17(12)3/h9H,4-8,10H2,1-3H3,(H,15,20).
What are the key properties of ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 36800258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).