N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H26N4O — CID 106357153

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-9-12(10(2)18(6)17-9)13(19)16-11(7-8-15)14(3,4)5/h11H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyYRZPNCRLXAAKKN-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.53
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 106357153) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID106357153
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-9-12(10(2)18(6)17-9)13(19)16-11(7-8-15)14(3,4)5/h11H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyYRZPNCRLXAAKKN-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 63754459
N-(4-amino-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114148855
N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
CID 106357063
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-but-3-yn-2-yl-1,3,5-trimethylpyrazole-4-carboxamide
CID 114389977
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzamide
CID 114178197
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
1,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)pyrazole-4-carboxamide
CID 81339753

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 106357153) is N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is YRZPNCRLXAAKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9-12(10(2)18(6)17-9)13(19)16-11(7-8-15)14(3,4)5/h11H,7-8,15H2,1-6H3,(H,16,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 106357153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).