1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea

C15H23F3N4S — CID 17298600

IUPAC1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H23F3N4S/c1-10(2)9-20-14(23)19-6-3-7-22-12(11-4-5-11)8-13(21-22)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H2,19,20,23)
InChIKeyUAXHORPAAVPRLY-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea

1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea (PubChem CID 17298600) has the molecular formula C15H23F3N4S and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea
PubChem CID17298600
Molecular FormulaC15H23F3N4S
Molecular Weight348.44 g/mol
Exact Mass348.16
IUPAC Name1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H23F3N4S/c1-10(2)9-20-14(23)19-6-3-7-22-12(11-4-5-11)8-13(21-22)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H2,19,20,23)
InChIKeyUAXHORPAAVPRLY-UHFFFAOYSA-N
XLogP3.29
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea 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 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea (CID 17298600) is 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NCCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea?
The InChIKey is UAXHORPAAVPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4S/c1-10(2)9-20-14(23)19-6-3-7-22-12(11-4-5-11)8-13(21-22)15(16,17)18/h8,10-11H,3-7,9H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea?
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea has a molecular weight of 348.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 17298600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).