N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide

C16H18F3N3O2 — CID 35290303

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H18F3N3O2/c1-10-12(5-8-24-10)15(23)20-6-2-7-22-13(11-3-4-11)9-14(21-22)16(17,18)19/h5,8-9,11H,2-4,6-7H2,1H3,(H,20,23)
InChIKeyZDOWCFKPJFILBR-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.50
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide (PubChem CID 35290303) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide
PubChem CID35290303
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H18F3N3O2/c1-10-12(5-8-24-10)15(23)20-6-2-7-22-13(11-3-4-11)9-14(21-22)16(17,18)19/h5,8-9,11H,2-4,6-7H2,1H3,(H,20,23)
InChIKeyZDOWCFKPJFILBR-UHFFFAOYSA-N
XLogP3.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide (CID 35290303) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide?
The InChIKey is ZDOWCFKPJFILBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-12(5-8-24-10)15(23)20-6-2-7-22-13(11-3-4-11)9-14(21-22)16(17,18)19/h5,8-9,11H,2-4,6-7H2,1H3,(H,20,23).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 35290303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).