N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

C29H35ClN4O3 — CID 93131999

About N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (PubChem CID 93131999) has the molecular formula C29H35ClN4O3 and a molecular weight of 523.08 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• PubChem CID: 93131999
• Molecular Formula: C29H35ClN4O3
• Molecular Weight: 523.08 g/mol
• Exact Mass: 522.24
• IUPAC Name: N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• SMILES: Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccccc3Cl)C2)cc1C
• InChI: InChI=1S/C29H35ClN4O3/c1-20-7-8-23(17-21(20)2)26-18-27(24-5-3-4-6-25(24)30)34(31-26)28(35)19-33(29(36)22-9-10-22)12-11-32-13-15-37-16-14-32/h3-8,17,22,27H,9-16,18-19H2,1-2H3/t27-/m1/s1
• InChIKey: SJTADXMVKRMZCV-HHHXNRCGSA-N
• XLogP: 4.21
• TPSA: 65.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.08
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The IUPAC name of N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (CID 93131999) is N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The canonical SMILES for N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccccc3Cl)C2)cc1C.

What is the InChIKey of N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The InChIKey is SJTADXMVKRMZCV-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H35ClN4O3/c1-20-7-8-23(17-21(20)2)26-18-27(24-5-3-4-6-25(24)30)34(31-26)28(35)19-33(29(36)22-9-10-22)12-11-32-13-15-37-16-14-32/h3-8,17,22,27H,9-16,18-19H2,1-2H3/t27-/m1/s1.

What are the key properties of N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide has a molecular weight of 523.08 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 93131999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).