N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

C23H18ClFN6O — CID 162691720

About N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 162691720) has the molecular formula C23H18ClFN6O and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 162691720
• Molecular Formula: C23H18ClFN6O
• Molecular Weight: 448.89 g/mol
• Exact Mass: 448.12
• IUPAC Name: N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
• SMILES: C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(-c2cccc(F)c2)n[nH]1
• InChI: InChI=1S/C23H18ClFN6O/c1-14(13-31-8-7-20(30-31)16-5-6-17(12-26)19(24)10-16)27-23(32)22-11-21(28-29-22)15-3-2-4-18(25)9-15/h2-11,14H,13H2,1H3,(H,27,32)(H,28,29)/t14-/m0/s1
• InChIKey: WXEPXVLFCWXRKU-AWEZNQCLSA-N
• XLogP: 4.42
• TPSA: 99.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.89
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 162691720) is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(-c2cccc(F)c2)n[nH]1.

What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?

The InChIKey is WXEPXVLFCWXRKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18ClFN6O/c1-14(13-31-8-7-20(30-31)16-5-6-17(12-26)19(24)10-16)27-23(32)22-11-21(28-29-22)15-3-2-4-18(25)9-15/h2-11,14H,13H2,1H3,(H,27,32)(H,28,29)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide?

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(3-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162691720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).