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

C22H17ClF2N4O2 — CID 135523965

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

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (PubChem CID 135523965) has the molecular formula C22H17ClF2N4O2 and a molecular weight of 442.85 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 135523965
• Molecular Formula: C22H17ClF2N4O2
• Molecular Weight: 442.85 g/mol
• Exact Mass: 442.10
• IUPAC Name: 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
• SMILES: O=C(NC(CO)c1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
• InChI: InChI=1S/C22H17ClF2N4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-17(24)18(25)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)
• InChIKey: UAVINMGWYRSLQG-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 93.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.85
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (CID 135523965) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1ccc(F)c(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-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The InChIKey is UAVINMGWYRSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-17(24)18(25)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31).

What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 442.85 g/mol, XLogP of 4.47, 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-(3,4-difluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).