(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

C18H22F3N5O — CID 19297896

About (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 19297896) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
• PubChem CID: 19297896
• Molecular Formula: C18H22F3N5O
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.18
• IUPAC Name: (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
• SMILES: CCn1cc(/C=C/C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cn1
• InChI: InChI=1S/C18H22F3N5O/c1-2-25-12-13(11-23-25)4-7-17(27)22-8-3-9-26-15(14-5-6-14)10-16(24-26)18(19,20)21/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,22,27)/b7-4+
• InChIKey: JVQQIYCWCIPGHJ-QPJJXVBHSA-N
• XLogP: 3.22
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?

The IUPAC name of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 19297896) is (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

What is the SMILES notation for (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?

The canonical SMILES for (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C/C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cn1.

What is the InChIKey of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?

The InChIKey is JVQQIYCWCIPGHJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-2-25-12-13(11-23-25)4-7-17(27)22-8-3-9-26-15(14-5-6-14)10-16(24-26)18(19,20)21/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,22,27)/b7-4+.

What are the key properties of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?

(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 381.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19297896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).