2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C20H22ClN5O — CID 19340322

About 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 19340322) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 19340322
• Molecular Formula: C20H22ClN5O
• Molecular Weight: 383.88 g/mol
• Exact Mass: 383.15
• IUPAC Name: 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
• SMILES: CCn1ncc(Cn2cc(NC(=O)C3CC3c3ccc(Cl)cc3)cn2)c1C
• InChI: InChI=1S/C20H22ClN5O/c1-3-26-13(2)15(9-23-26)11-25-12-17(10-22-25)24-20(27)19-8-18(19)14-4-6-16(21)7-5-14/h4-7,9-10,12,18-19H,3,8,11H2,1-2H3,(H,24,27)
• InChIKey: NTYDQNHISGBAJC-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.88
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 19340322) is 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is CCn1ncc(Cn2cc(NC(=O)C3CC3c3ccc(Cl)cc3)cn2)c1C.

What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?

The InChIKey is NTYDQNHISGBAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-3-26-13(2)15(9-23-26)11-25-12-17(10-22-25)24-20(27)19-8-18(19)14-4-6-16(21)7-5-14/h4-7,9-10,12,18-19H,3,8,11H2,1-2H3,(H,24,27).

What are the key properties of 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?

2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19340322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).