N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H17F3N4O — CID 144610886

IUPACN-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1CN(CCN)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H17F3N4O/c1-10-4-2-3-5-11(10)9-22(7-6-19)14(23)12-8-13(21-20-12)15(16,17)18/h2-5,8H,6-7,9,19H2,1H3,(H,20,21)
InChIKeyBKIDEGLRSJBVDN-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.34
Rot. Bonds5

About N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 144610886) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID144610886
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1CN(CCN)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H17F3N4O/c1-10-4-2-3-5-11(10)9-22(7-6-19)14(23)12-8-13(21-20-12)15(16,17)18/h2-5,8H,6-7,9,19H2,1H3,(H,20,21)
InChIKeyBKIDEGLRSJBVDN-UHFFFAOYSA-N
XLogP2.34
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-5-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118552891
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
N-[[2-chloro-5-(methylamino)phenyl]methyl]-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130312926
N-[(2-cyanophenyl)methyl]-N-(oxetan-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120814
N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78879649
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 118552832

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 144610886) is N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1ccccc1CN(CCN)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BKIDEGLRSJBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-4-2-3-5-11(10)9-22(7-6-19)14(23)12-8-13(21-20-12)15(16,17)18/h2-5,8H,6-7,9,19H2,1H3,(H,20,21).
What are the key properties of N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 144610886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).