2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide

C12H22N4O — CID 83090697

IUPAC2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cn(C)nc1C
InChIInChI=1S/C12H22N4O/c1-4-5-14-12(17)10(7-13)6-11-8-16(3)15-9(11)2/h8,10H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyXJFVTGOQNDWEDP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.37
Rot. Bonds6

About 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide

2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide (PubChem CID 83090697) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
PubChem CID83090697
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cn(C)nc1C
InChIInChI=1S/C12H22N4O/c1-4-5-14-12(17)10(7-13)6-11-8-16(3)15-9(11)2/h8,10H,4-7,13H2,1-3H3,(H,14,17)
InChIKeyXJFVTGOQNDWEDP-UHFFFAOYSA-N
XLogP0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 83089118
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
CID 115527337
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide
CID 79977413
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
CID 170889539

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide (CID 83090697) is 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1cn(C)nc1C.
What is the InChIKey of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide?
The InChIKey is XJFVTGOQNDWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-14-12(17)10(7-13)6-11-8-16(3)15-9(11)2/h8,10H,4-7,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide?
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide is sourced from PubChem (CID 83090697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).