1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide

C25H25N5O3 — CID 42420074

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 42420074) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide
• PubChem CID: 42420074
• Molecular Formula: C25H25N5O3
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.20
• IUPAC Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)NCC2(c3ccccc3)CCOCC2)cnn1-c1nccc(-c2ccco2)n1
• InChI: InChI=1S/C25H25N5O3/c1-18-20(16-28-30(18)24-26-12-9-21(29-24)22-8-5-13-33-22)23(31)27-17-25(10-14-32-15-11-25)19-6-3-2-4-7-19/h2-9,12-13,16H,10-11,14-15,17H2,1H3,(H,27,31)
• InChIKey: HWPQPBYUMHFZCW-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide (CID 42420074) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2(c3ccccc3)CCOCC2)cnn1-c1nccc(-c2ccco2)n1.

What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide?

The InChIKey is HWPQPBYUMHFZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-18-20(16-28-30(18)24-26-12-9-21(29-24)22-8-5-13-33-22)23(31)27-17-25(10-14-32-15-11-25)19-6-3-2-4-7-19/h2-9,12-13,16H,10-11,14-15,17H2,1H3,(H,27,31).

What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide?

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42420074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).