1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C19H21F2N5O2 — CID 19279969

About 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19279969) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
• PubChem CID: 19279969
• Molecular Formula: C19H21F2N5O2
• Molecular Weight: 389.41 g/mol
• Exact Mass: 389.17
• IUPAC Name: 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
• SMILES: CCn1cc(C(C)NC(=O)c2ccn(COc3ccc(F)cc3F)n2)c(C)n1
• InChI: InChI=1S/C19H21F2N5O2/c1-4-25-10-15(13(3)23-25)12(2)22-19(27)17-7-8-26(24-17)11-28-18-6-5-14(20)9-16(18)21/h5-10,12H,4,11H2,1-3H3,(H,22,27)
• InChIKey: HTXTYTQYUOKYFH-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.41
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 19279969) is 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(C(C)NC(=O)c2ccn(COc3ccc(F)cc3F)n2)c(C)n1.

What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?

The InChIKey is HTXTYTQYUOKYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-4-25-10-15(13(3)23-25)12(2)22-19(27)17-7-8-26(24-17)11-28-18-6-5-14(20)9-16(18)21/h5-10,12H,4,11H2,1-3H3,(H,22,27).

What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?

1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19279969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).