2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide

C11H20N4O — CID 112668706

IUPAC2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C11H20N4O/c1-4-9(5-12)11(16)13-6-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyYFHYODNXXYISQC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.33
Rot. Bonds5

About 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide

2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide (PubChem CID 112668706) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
PubChem CID112668706
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C11H20N4O/c1-4-9(5-12)11(16)13-6-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyYFHYODNXXYISQC-UHFFFAOYSA-N
XLogP0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950
3-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylhexanamide
CID 112669544
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide (CID 112668706) is 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide is CCC(CN)C(=O)NCc1cn(C)nc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide?
The InChIKey is YFHYODNXXYISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9(5-12)11(16)13-6-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide?
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 112668706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).