ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate

C20H16ClN3O2 — CID 136880016

IUPACethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C20H16ClN3O2/c1-2-26-20(25)17-12-16-18(22-17)19(13-8-10-14(21)11-9-13)24(23-16)15-6-4-3-5-7-15/h3-12,22H,2H2,1H3
InChIKeyYBQBBIAMEYTSME-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.85
Rot. Bonds4

About ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate

ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate (PubChem CID 136880016) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
PubChem CID136880016
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Nameethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C20H16ClN3O2/c1-2-26-20(25)17-12-16-18(22-17)19(13-8-10-14(21)11-9-13)24(23-16)15-6-4-3-5-7-15/h3-12,22H,2H2,1H3
InChIKeyYBQBBIAMEYTSME-UHFFFAOYSA-N
XLogP4.85
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
CID 11131891
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CID 171663092
ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
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ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
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CID 141479376
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 5-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carboxylate
CID 3851499
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575
ethyl 3-(4-chlorophenyl)-4-methyl-5-phenyl-1H-pyrrole-2-carboxylate
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ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate (CID 136880016) is ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate is CCOC(=O)c1cc2nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate?
The InChIKey is YBQBBIAMEYTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-2-26-20(25)17-12-16-18(22-17)19(13-8-10-14(21)11-9-13)24(23-16)15-6-4-3-5-7-15/h3-12,22H,2H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate?
ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate has a molecular weight of 365.82 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate is sourced from PubChem (CID 136880016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).