N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide

C23H20ClFN6O2 — CID 56683319

About N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide (PubChem CID 56683319) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 56683319
• Molecular Formula: C23H20ClFN6O2
• Molecular Weight: 466.90 g/mol
• Exact Mass: 466.13
• IUPAC Name: N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide
• SMILES: C[C@@H](NC(=O)C1(NC(=O)c2cn[nH]c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F
• InChI: InChI=1S/C23H20ClFN6O2/c1-13(28-22(33)23(8-9-23)29-21(32)14-11-26-27-12-14)16-7-6-15(10-18(16)25)31-19-5-3-2-4-17(19)20(24)30-31/h2-7,10-13H,8-9H2,1H3,(H,26,27)(H,28,33)(H,29,32)/t13-/m1/s1
• InChIKey: KUHLJRSHGQWTHV-CYBMUJFWSA-N
• XLogP: 3.68
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.90
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide (CID 56683319) is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide is C[C@@H](NC(=O)C1(NC(=O)c2cn[nH]c2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F.

What is the InChIKey of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide?

The InChIKey is KUHLJRSHGQWTHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-13(28-22(33)23(8-9-23)29-21(32)14-11-26-27-12-14)16-7-6-15(10-18(16)25)31-19-5-3-2-4-17(19)20(24)30-31/h2-7,10-13H,8-9H2,1H3,(H,26,27)(H,28,33)(H,29,32)/t13-/m1/s1.

What are the key properties of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide?

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56683319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).