2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one

C13H23N3O — CID 116597901

IUPAC2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
SMILESCCCn1nccc1C(=O)C(CN)CC(C)C
InChIInChI=1S/C13H23N3O/c1-4-7-16-12(5-6-15-16)13(17)11(9-14)8-10(2)3/h5-6,10-11H,4,7-9,14H2,1-3H3
InChIKeyVAXATXFMNPJHAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.10
Rot. Bonds7

About 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one

2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one (PubChem CID 116597901) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
PubChem CID116597901
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
SMILESCCCn1nccc1C(=O)C(CN)CC(C)C
InChIInChI=1S/C13H23N3O/c1-4-7-16-12(5-6-15-16)13(17)11(9-14)8-10(2)3/h5-6,10-11H,4,7-9,14H2,1-3H3
InChIKeyVAXATXFMNPJHAZ-UHFFFAOYSA-N
XLogP2.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
CID 116581593
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one (CID 116597901) is 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one is CCCn1nccc1C(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The InChIKey is VAXATXFMNPJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-16-12(5-6-15-16)13(17)11(9-14)8-10(2)3/h5-6,10-11H,4,7-9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 116597901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).