N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H24N4O — CID 114148855

IUPACN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(C)(C)CCN
InChIInChI=1S/C13H24N4O/c1-9-11(10(2)17(5)16-9)12(18)15-8-13(3,4)6-7-14/h6-8,14H2,1-5H3,(H,15,18)
InChIKeyYZMGVHVSMVLNFD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.14
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 114148855) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID114148855
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(C)(C)CCN
InChIInChI=1S/C13H24N4O/c1-9-11(10(2)17(5)16-9)12(18)15-8-13(3,4)6-7-14/h6-8,14H2,1-5H3,(H,15,18)
InChIKeyYZMGVHVSMVLNFD-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103772900
N-(4-chloro-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106142846
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106357153
N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114148938
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(2-bromopropyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114308682
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 106141584
N-(2-amino-3-hydroxybutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 64541906
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 114148855) is N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC(C)(C)CCN.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is YZMGVHVSMVLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9-11(10(2)17(5)16-9)12(18)15-8-13(3,4)6-7-14/h6-8,14H2,1-5H3,(H,15,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 114148855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).