5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide

C18H19F2N3O3 — CID 91789441

About 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91789441) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 91789441
• Molecular Formula: C18H19F2N3O3
• Molecular Weight: 363.36 g/mol
• Exact Mass: 363.14
• IUPAC Name: 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide
• SMILES: O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(C(F)F)[nH]n1
• InChI: InChI=1S/C18H19F2N3O3/c19-17(20)13-8-14(23-22-13)18(25)21-16(11-6-12(24)7-11)10-1-2-15-9(5-10)3-4-26-15/h1-2,5,8,11-12,16-17,24H,3-4,6-7H2,(H,21,25)(H,22,23)
• InChIKey: QIDAJNMIRMBWGU-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 87.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.36
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide (CID 91789441) is 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(C(F)F)[nH]n1.

What is the InChIKey of 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is QIDAJNMIRMBWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c19-17(20)13-8-14(23-22-13)18(25)21-16(11-6-12(24)7-11)10-1-2-15-9(5-10)3-4-26-15/h1-2,5,8,11-12,16-17,24H,3-4,6-7H2,(H,21,25)(H,22,23).

What are the key properties of 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide?

5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91789441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).