2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

C15H19ClF3N5O — CID 19295780

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C15H19ClF3N5O/c1-10-7-12(15(17,18)19)22-23(10)6-4-5-20-13(25)14(2,3)24-9-11(16)8-21-24/h7-9H,4-6H2,1-3H3,(H,20,25)
InChIKeyVDRFMANSERYHKD-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide

2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (PubChem CID 19295780) has the molecular formula C15H19ClF3N5O and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
PubChem CID19295780
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1
InChIInChI=1S/C15H19ClF3N5O/c1-10-7-12(15(17,18)19)22-23(10)6-4-5-20-13(25)14(2,3)24-9-11(16)8-21-24/h7-9H,4-6H2,1-3H3,(H,20,25)
InChIKeyVDRFMANSERYHKD-UHFFFAOYSA-N
XLogP3.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide 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 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide (CID 19295780) is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)C(C)(C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
The InChIKey is VDRFMANSERYHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N5O/c1-10-7-12(15(17,18)19)22-23(10)6-4-5-20-13(25)14(2,3)24-9-11(16)8-21-24/h7-9H,4-6H2,1-3H3,(H,20,25).
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide?
2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide has a molecular weight of 377.80 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide is sourced from PubChem (CID 19295780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).