N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide

C13H24N4O — CID 114148938

IUPACN-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCN)n(C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(17(4)16-10)12(18)15-9-13(2,3)6-5-7-14/h8H,5-7,9,14H2,1-4H3,(H,15,18)
InChIKeySEYZBZUELBOANA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.22
Rot. Bonds6

About N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide

N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 114148938) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID114148938
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCN)n(C)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(17(4)16-10)12(18)15-9-13(2,3)6-5-7-14/h8H,5-7,9,14H2,1-4H3,(H,15,18)
InChIKeySEYZBZUELBOANA-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114149579
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114148855
N-(4-bromo-2,2-dimethylbutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106143809
N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
CID 106141144
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
2,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]pyrazole-3-carboxamide
CID 82723366
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107846675

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide (CID 114148938) is N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)CCCN)n(C)n1.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SEYZBZUELBOANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-8-11(17(4)16-10)12(18)15-9-13(2,3)6-5-7-14/h8H,5-7,9,14H2,1-4H3,(H,15,18).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114148938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).