N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C24H28F3N5O3 — CID 55649454

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55649454) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 55649454
• Molecular Formula: C24H28F3N5O3
• Molecular Weight: 491.51 g/mol
• Exact Mass: 491.21
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(C(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)N2CCOCC2)o1
• InChI: InChI=1S/C24H28F3N5O3/c1-15(2)22-18(13-30-32(22)21-7-5-17(12-28-21)24(25,26)27)23(33)29-14-19(20-6-4-16(3)35-20)31-8-10-34-11-9-31/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,29,33)
• InChIKey: HUCBPTDOKICSPG-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55649454) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccc(C(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)N2CCOCC2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is HUCBPTDOKICSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-15(2)22-18(13-30-32(22)21-7-5-17(12-28-21)24(25,26)27)23(33)29-14-19(20-6-4-16(3)35-20)31-8-10-34-11-9-31/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,29,33).

What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 491.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).