1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C20H19ClN6O3 — CID 21026021

IUPAC1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)C1CC(O)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O3/c21-13-1-3-15(4-2-13)24-20(30)26-12-17(28)11-18(26)19(29)23-14-5-7-16(8-6-14)27-10-9-22-25-27/h1-10,17-18,28H,11-12H2,(H,23,29)(H,24,30)
InChIKeyHDDVVAUNWVPXIL-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.53
Rot. Bonds4

About 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 21026021) has the molecular formula C20H19ClN6O3 and a molecular weight of 426.86 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID21026021
Molecular FormulaC20H19ClN6O3
Molecular Weight426.86 g/mol
Exact Mass426.12
IUPAC Name1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccnn2)cc1)C1CC(O)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN6O3/c21-13-1-3-15(4-2-13)24-20(30)26-12-17(28)11-18(26)19(29)23-14-5-7-16(8-6-14)27-10-9-22-25-27/h1-10,17-18,28H,11-12H2,(H,23,29)(H,24,30)
InChIKeyHDDVVAUNWVPXIL-UHFFFAOYSA-N
XLogP2.53
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 21026021) is 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2ccnn2)cc1)C1CC(O)CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is HDDVVAUNWVPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O3/c21-13-1-3-15(4-2-13)24-20(30)26-12-17(28)11-18(26)19(29)23-14-5-7-16(8-6-14)27-10-9-22-25-27/h1-10,17-18,28H,11-12H2,(H,23,29)(H,24,30).
What are the key properties of 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21026021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).