N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide

C11H20N4O — CID 63754459

IUPACN-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCC(CN)NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(6-12)13-11(16)10-7(2)14-15(4)8(10)3/h9H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyCATAVZWWERZOSK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds4

About N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 63754459) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID63754459
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCC(CN)NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H20N4O/c1-5-9(6-12)13-11(16)10-7(2)14-15(4)8(10)3/h9H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyCATAVZWWERZOSK-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106357153
N-but-3-yn-2-yl-1,3,5-trimethylpyrazole-4-carboxamide
CID 114389977
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 40726754
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 120506812
methyl 2-hydroxy-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
CID 103879555
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103798865
ethyl (2S)-2-(2,3-dimethylphenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 125142271

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 63754459) is N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide is CCC(CN)NC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CATAVZWWERZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-9(6-12)13-11(16)10-7(2)14-15(4)8(10)3/h9H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).