N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide

C18H26N4O — CID 119643220

IUPACN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C18H26N4O/c1-4-18(19,5-2)13-20-17(23)16-11-21-22(14(16)3)12-15-9-7-6-8-10-15/h6-11H,4-5,12-13,19H2,1-3H3,(H,20,23)
InChIKeyCILDIZAENJXDDC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide (PubChem CID 119643220) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
PubChem CID119643220
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C18H26N4O/c1-4-18(19,5-2)13-20-17(23)16-11-21-22(14(16)3)12-15-9-7-6-8-10-15/h6-11H,4-5,12-13,19H2,1-3H3,(H,20,23)
InChIKeyCILDIZAENJXDDC-UHFFFAOYSA-N
XLogP2.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
N-[3-amino-2-[(2-chlorophenyl)methyl]-3-oxopropyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 166198105
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide (CID 119643220) is N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide is CCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
The InChIKey is CILDIZAENJXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-18(19,5-2)13-20-17(23)16-11-21-22(14(16)3)12-15-9-7-6-8-10-15/h6-11H,4-5,12-13,19H2,1-3H3,(H,20,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119643220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).