N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide

C11H20N4O — CID 114873543

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O/c1-5-7(2)6-9(16)13-11-10(12)8(3)14-15(11)4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyHZNHVCJTBWILLW-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.69
Rot. Bonds4

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide (PubChem CID 114873543) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide
PubChem CID114873543
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O/c1-5-7(2)6-9(16)13-11-10(12)8(3)14-15(11)4/h7H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyHZNHVCJTBWILLW-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide (CID 114873543) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide is CCC(C)CC(=O)Nc1c(N)c(C)nn1C.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide?
The InChIKey is HZNHVCJTBWILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-7(2)6-9(16)13-11-10(12)8(3)14-15(11)4/h7H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-methylpentanamide is sourced from PubChem (CID 114873543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).