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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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
(8-methylchromeno[4,3-c]pyrazol-1(4H)-yl)acetic acid
CID 3237542
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5307830
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
CID 5307988
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
CID 5308229
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 5308712
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
8-Methyl-1-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-1H,4H-chromeno[4,3-C]pyrazol-4-one
CID 9550993

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).