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

C14H18F3N5O — CID 19519236

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccnn1CCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-10-4-6-19-21(10)7-3-5-18-13(23)9-22-11(2)8-12(20-22)14(15,16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,23)
InChIKeyZBRJYOWPKQLYKA-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.92
Rot. Bonds6

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

N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19519236) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19519236
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccnn1CCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-10-4-6-19-21(10)7-3-5-18-13(23)9-22-11(2)8-12(20-22)14(15,16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,23)
InChIKeyZBRJYOWPKQLYKA-UHFFFAOYSA-N
XLogP1.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.92
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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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19516627
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19517540
2-(3-methyl-5-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]acetamide
CID 19530624
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530879
2-[4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500657
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003029
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19519236) is N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccnn1CCCNC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZBRJYOWPKQLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-10-4-6-19-21(10)7-3-5-18-13(23)9-22-11(2)8-12(20-22)14(15,16)17/h4,6,8H,3,5,7,9H2,1-2H3,(H,18,23).
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 329.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19519236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).