ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate

C20H16ClN5O2 — CID 108775869

IUPACethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-2-28-20(27)14-12-22-26(13-8-4-3-5-9-13)19(14)25-18-17(21)23-15-10-6-7-11-16(15)24-18/h3-12H,2H2,1H3,(H,24,25)
InChIKeyDZWBRBUWBWQREM-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.39
Rot. Bonds5

About ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 108775869) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID108775869
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Nameethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-2-28-20(27)14-12-22-26(13-8-4-3-5-9-13)19(14)25-18-17(21)23-15-10-6-7-11-16(15)24-18/h3-12H,2H2,1H3,(H,24,25)
InChIKeyDZWBRBUWBWQREM-UHFFFAOYSA-N
XLogP4.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate
CID 108775865
ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779092
ethyl 5-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1-phenylpyrazole-4-carboxylate
CID 108775848
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 5-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19552325
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779349
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-(3-oxopropyl)-1-phenylpyrazole-4-carboxylate
CID 71567359

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate (CID 108775869) is ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1Nc1nc2ccccc2nc1Cl.
What is the InChIKey of ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is DZWBRBUWBWQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-2-28-20(27)14-12-22-26(13-8-4-3-5-9-13)19(14)25-18-17(21)23-15-10-6-7-11-16(15)24-18/h3-12H,2H2,1H3,(H,24,25).
What are the key properties of ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 393.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 108775869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).