ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate

C19H22N4O4 — CID 5308791

IUPACethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C19H22N4O4/c1-2-26-19(25)22-9-7-21(8-10-22)17(24)12-23-18-14(11-20-23)13-27-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3
InChIKeyDFPBKRZNFLBSDU-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.74
Rot. Bonds3

About ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 5308791) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID5308791
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C19H22N4O4/c1-2-26-19(25)22-9-7-21(8-10-22)17(24)12-23-18-14(11-20-23)13-27-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3
InChIKeyDFPBKRZNFLBSDU-UHFFFAOYSA-N
XLogP1.74
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate (CID 5308791) is ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1.
What is the InChIKey of ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is DFPBKRZNFLBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-2-26-19(25)22-9-7-21(8-10-22)17(24)12-23-18-14(11-20-23)13-27-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3.
What are the key properties of ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 5308791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).