ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate

C29H24N4O3 — CID 4227534

IUPACethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H24N4O3/c1-3-36-29(35)23-18-30-33(21-14-8-5-9-15-21)27(23)32-28(34)25-19(2)26(20-12-6-4-7-13-20)31-24-17-11-10-16-22(24)25/h4-18H,3H2,1-2H3,(H,32,34)
InChIKeyGWZXXSSSYOYFMJ-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.82
Rot. Bonds6

About ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 4227534) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
PubChem CID4227534
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Nameethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H24N4O3/c1-3-36-29(35)23-18-30-33(21-14-8-5-9-15-21)27(23)32-28(34)25-19(2)26(20-12-6-4-7-13-20)31-24-17-11-10-16-22(24)25/h4-18H,3H2,1-2H3,(H,32,34)
InChIKeyGWZXXSSSYOYFMJ-UHFFFAOYSA-N
XLogP5.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 4196922
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 5-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477715
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-phenylpyrazole-4-carboxylate
CID 108775869
ethyl 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 108761383
ethyl 5-(1H-benzimidazol-2-ylamino)-1-phenylpyrazole-4-carboxylate
CID 108775865

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate (CID 4227534) is ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is GWZXXSSSYOYFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-3-36-29(35)23-18-30-33(21-14-8-5-9-15-21)27(23)32-28(34)25-19(2)26(20-12-6-4-7-13-20)31-24-17-11-10-16-22(24)25/h4-18H,3H2,1-2H3,(H,32,34).
What are the key properties of ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 476.54 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 4227534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).