3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide

C18H15Cl2N3O2 — CID 112814117

IUPAC3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-5-1-11(2-6-13)15-9-16(23-22-15)18(25)21-10-17(24)12-3-7-14(20)8-4-12/h1-9,17,24H,10H2,(H,21,25)(H,22,23)
InChIKeyFRTJYNSPJRJITK-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.85
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide (PubChem CID 112814117) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
PubChem CID112814117
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H15Cl2N3O2/c19-13-5-1-11(2-6-13)15-9-16(23-22-15)18(25)21-10-17(24)12-3-7-14(20)8-4-12/h1-9,17,24H,10H2,(H,21,25)(H,22,23)
InChIKeyFRTJYNSPJRJITK-UHFFFAOYSA-N
XLogP3.85
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide (CID 112814117) is 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FRTJYNSPJRJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-13-5-1-11(2-6-13)15-9-16(23-22-15)18(25)21-10-17(24)12-3-7-14(20)8-4-12/h1-9,17,24H,10H2,(H,21,25)(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 112814117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).