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

C18H27ClN4O — CID 119643219

IUPACN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C.Cl
InChIInChI=1S/C18H26N4O.ClH/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);1H
InChIKeyDUKKZBNIJWFOPL-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.91
Rot. Bonds7

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

N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119643219) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119643219
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC NameN-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C.Cl
InChIInChI=1S/C18H26N4O.ClH/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);1H
InChIKeyDUKKZBNIJWFOPL-UHFFFAOYSA-N
XLogP2.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.91
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
CID 119643220
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
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
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
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
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride (CID 119643219) is N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cnn(Cc2ccccc2)c1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is DUKKZBNIJWFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.ClH/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);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.91, 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;hydrochloride is sourced from PubChem (CID 119643219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).