4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide

C15H11Cl3N4O — CID 78833536

IUPAC4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C15H11Cl3N4O/c16-10-3-1-9(2-4-10)8-22-13(5-6-19-22)21-15(23)12-7-11(17)14(18)20-12/h1-7,20H,8H2,(H,21,23)
InChIKeyZFQIVLHWGSKGMX-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.47
Rot. Bonds4

About 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 78833536) has the molecular formula C15H11Cl3N4O and a molecular weight of 369.64 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID78833536
Molecular FormulaC15H11Cl3N4O
Molecular Weight369.64 g/mol
Exact Mass368.00
IUPAC Name4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C15H11Cl3N4O/c16-10-3-1-9(2-4-10)8-22-13(5-6-19-22)21-15(23)12-7-11(17)14(18)20-12/h1-7,20H,8H2,(H,21,23)
InChIKeyZFQIVLHWGSKGMX-UHFFFAOYSA-N
XLogP4.47
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide (CID 78833536) is 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZFQIVLHWGSKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N4O/c16-10-3-1-9(2-4-10)8-22-13(5-6-19-22)21-15(23)12-7-11(17)14(18)20-12/h1-7,20H,8H2,(H,21,23).
What are the key properties of 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 369.64 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78833536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).