N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide

C22H23ClN4O2 — CID 171539571

About N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide

N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 171539571) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide
• PubChem CID: 171539571
• Molecular Formula: C22H23ClN4O2
• Molecular Weight: 410.91 g/mol
• Exact Mass: 410.15
• IUPAC Name: N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide
• SMILES: CC(C)c1cccc(-c2[nH]ncc2C(=O)N[C@@H](CC(N)=O)c2cccc(Cl)c2)c1
• InChI: InChI=1S/C22H23ClN4O2/c1-13(2)14-5-3-7-16(9-14)21-18(12-25-27-21)22(29)26-19(11-20(24)28)15-6-4-8-17(23)10-15/h3-10,12-13,19H,11H2,1-2H3,(H2,24,28)(H,25,27)(H,26,29)/t19-/m0/s1
• InChIKey: GMNADDPHNACACT-IBGZPJMESA-N
• XLogP: 4.20
• TPSA: 100.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.91
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide?

The IUPAC name of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide (CID 171539571) is N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide is CC(C)c1cccc(-c2[nH]ncc2C(=O)N[C@@H](CC(N)=O)c2cccc(Cl)c2)c1.

What is the InChIKey of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide?

The InChIKey is GMNADDPHNACACT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13(2)14-5-3-7-16(9-14)21-18(12-25-27-21)22(29)26-19(11-20(24)28)15-6-4-8-17(23)10-15/h3-10,12-13,19H,11H2,1-2H3,(H2,24,28)(H,25,27)(H,26,29)/t19-/m0/s1.

What are the key properties of N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide?

N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171539571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).