1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide

C27H31ClN4O2 — CID 66927818

About 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 66927818) has the molecular formula C27H31ClN4O2 and a molecular weight of 479.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 66927818
• Molecular Formula: C27H31ClN4O2
• Molecular Weight: 479.02 g/mol
• Exact Mass: 478.21
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
• SMILES: Cn1nccc1-c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1OCCN1CCCCC1
• InChI: InChI=1S/C27H31ClN4O2/c1-31-24(11-14-29-31)23-19-22(9-10-25(23)34-18-17-32-15-3-2-4-16-32)30-26(33)27(12-13-27)20-5-7-21(28)8-6-20/h5-11,14,19H,2-4,12-13,15-18H2,1H3,(H,30,33)
• InChIKey: KSABQHZMUHKINR-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.02
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide (CID 66927818) is 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide is Cn1nccc1-c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1OCCN1CCCCC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide?

The InChIKey is KSABQHZMUHKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2/c1-31-24(11-14-29-31)23-19-22(9-10-25(23)34-18-17-32-15-3-2-4-16-32)30-26(33)27(12-13-27)20-5-7-21(28)8-6-20/h5-11,14,19H,2-4,12-13,15-18H2,1H3,(H,30,33).

What are the key properties of 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide?

1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 479.02 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 66927818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).