1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide

C17H22F3N5O — CID 125173289

About 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide

1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 125173289) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
• PubChem CID: 125173289
• Molecular Formula: C17H22F3N5O
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.18
• IUPAC Name: 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1
• InChI: InChI=1S/C17H22F3N5O/c1-12(9-25-14(17(18,19)20)7-13(2)23-25)8-22-15(26)16(3-4-16)10-24-6-5-21-11-24/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,22,26)/t12-/m0/s1
• InChIKey: AFKXTYGFVWNRKK-LBPRGKRZSA-N
• XLogP: 2.64
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide (CID 125173289) is 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1.

What is the InChIKey of 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?

The InChIKey is AFKXTYGFVWNRKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-12(9-25-14(17(18,19)20)7-13(2)23-25)8-22-15(26)16(3-4-16)10-24-6-5-21-11-24/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,22,26)/t12-/m0/s1.

What are the key properties of 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide?

1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(imidazol-1-ylmethyl)-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 125173289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).