4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

C22H18ClFN4O2 — CID 135523951

IUPAC4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)
InChIKeyMHZXYMWATGIBPO-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.33
Rot. Bonds6

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (PubChem CID 135523951) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
PubChem CID135523951
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC Name4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
InChIInChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)
InChIKeyMHZXYMWATGIBPO-UHFFFAOYSA-N
XLogP4.33
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (CID 135523951) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MHZXYMWATGIBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30).
What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 424.86 g/mol, XLogP of 4.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).