ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate

C25H24N4O3 — CID 132533903

IUPACethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)c1N
InChIInChI=1S/C25H24N4O3/c1-2-32-25(31)20-15-27-29(23(20)26)24(30)16-11-13-17(14-12-16)28-21-9-5-3-7-18(21)19-8-4-6-10-22(19)28/h3,5,7,9,11-15H,2,4,6,8,10,26H2,1H3
InChIKeyZKOIZUWDWQZQOG-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.15
Rot. Bonds4

About ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate (PubChem CID 132533903) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate
PubChem CID132533903
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Nameethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)c1N
InChIInChI=1S/C25H24N4O3/c1-2-32-25(31)20-15-27-29(23(20)26)24(30)16-11-13-17(14-12-16)28-21-9-5-3-7-18(21)19-8-4-6-10-22(19)28/h3,5,7,9,11-15H,2,4,6,8,10,26H2,1H3
InChIKeyZKOIZUWDWQZQOG-UHFFFAOYSA-N
XLogP4.15
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(4-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472549
ethyl 5-amino-1-(3-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472492
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363328
N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide
CID 132533900
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 5-methyl-1-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 43065113
2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
CID 3376847
methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate
CID 3449796
ethyl 3-chloro-1-[4-(nitrosomethyl)phenyl]indole-2-carboxylate
CID 123210492

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate (CID 132533903) is ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate?
The InChIKey is ZKOIZUWDWQZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-25(31)20-15-27-29(23(20)26)24(30)16-11-13-17(14-12-16)28-21-9-5-3-7-18(21)19-8-4-6-10-22(19)28/h3,5,7,9,11-15H,2,4,6,8,10,26H2,1H3.
What are the key properties of ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 132533903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).