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

C15H20F3N5O — CID 19328088

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cnn(CCCNC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C15H20F3N5O/c1-10-8-20-22(9-10)6-4-5-19-14(24)12(3)23-11(2)7-13(21-23)15(16,17)18/h7-9,12H,4-6H2,1-3H3,(H,19,24)
InChIKeyRJSVLHOPDSXZAI-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.48
Rot. Bonds6

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

N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19328088) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19328088
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cnn(CCCNC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C15H20F3N5O/c1-10-8-20-22(9-10)6-4-5-19-14(24)12(3)23-11(2)7-13(21-23)15(16,17)18/h7-9,12H,4-6H2,1-3H3,(H,19,24)
InChIKeyRJSVLHOPDSXZAI-UHFFFAOYSA-N
XLogP2.48
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19328088) is N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cnn(CCCNC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is RJSVLHOPDSXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-10-8-20-22(9-10)6-4-5-19-14(24)12(3)23-11(2)7-13(21-23)15(16,17)18/h7-9,12H,4-6H2,1-3H3,(H,19,24).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 343.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19328088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).