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

C19H24F3N5O — CID 19297897

IUPAC(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1C
InChIInChI=1S/C19H24F3N5O/c1-3-26-13(2)15(12-24-26)7-8-18(28)23-9-4-10-27-16(14-5-6-14)11-17(25-27)19(20,21)22/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,23,28)/b8-7+
InChIKeyIMKBLYSXGHELBO-BQYQJAHWSA-N
MW395.43 g/mol
LogP3.52
Rot. Bonds8

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

(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 19297897) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
PubChem CID19297897
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1C
InChIInChI=1S/C19H24F3N5O/c1-3-26-13(2)15(12-24-26)7-8-18(28)23-9-4-10-27-16(14-5-6-14)11-17(25-27)19(20,21)22/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,23,28)/b8-7+
InChIKeyIMKBLYSXGHELBO-BQYQJAHWSA-N
XLogP3.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (CID 19297897) is (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is CCn1ncc(/C=C/C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1C.
What is the InChIKey of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is IMKBLYSXGHELBO-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-3-26-13(2)15(12-24-26)7-8-18(28)23-9-4-10-27-16(14-5-6-14)11-17(25-27)19(20,21)22/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,23,28)/b8-7+.
What are the key properties of (E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 395.43 g/mol, XLogP of 3.52, 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-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19297897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).