3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide

C16H22N4O — CID 119812835

IUPAC3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)CC(C)N)n1
InChIInChI=1S/C16H22N4O/c1-11(17)8-16(21)18-10-14-6-4-5-7-15(14)20-13(3)9-12(2)19-20/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21)
InChIKeyFZPLNFOCZVWFFH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds5

About 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide

3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide (PubChem CID 119812835) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
PubChem CID119812835
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)CC(C)N)n1
InChIInChI=1S/C16H22N4O/c1-11(17)8-16(21)18-10-14-6-4-5-7-15(14)20-13(3)9-12(2)19-20/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21)
InChIKeyFZPLNFOCZVWFFH-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide (CID 119812835) is 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide is Cc1cc(C)n(-c2ccccc2CNC(=O)CC(C)N)n1.
What is the InChIKey of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide?
The InChIKey is FZPLNFOCZVWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(17)8-16(21)18-10-14-6-4-5-7-15(14)20-13(3)9-12(2)19-20/h4-7,9,11H,8,10,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide?
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 119812835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).