N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C17H20F3N3O — CID 90120721

IUPACN-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H20F3N3O/c1-2-3-7-10-23(12-13-8-5-4-6-9-13)16(24)14-11-15(22-21-14)17(18,19)20/h4-6,8-9,11H,2-3,7,10,12H2,1H3,(H,21,22)
InChIKeyCUEAWCNCQXWQOJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.26
Rot. Bonds7

About N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 90120721) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID90120721
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H20F3N3O/c1-2-3-7-10-23(12-13-8-5-4-6-9-13)16(24)14-11-15(22-21-14)17(18,19)20/h4-6,8-9,11H,2-3,7,10,12H2,1H3,(H,21,22)
InChIKeyCUEAWCNCQXWQOJ-UHFFFAOYSA-N
XLogP4.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 144610886
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
CID 70441420
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 90120721) is N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCCCCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CUEAWCNCQXWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-2-3-7-10-23(12-13-8-5-4-6-9-13)16(24)14-11-15(22-21-14)17(18,19)20/h4-6,8-9,11H,2-3,7,10,12H2,1H3,(H,21,22).
What are the key properties of N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90120721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).