6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one

C13H23N3O — CID 116581593

IUPAC6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
SMILESCCCn1nccc1C(=O)CCC(C)CCN
InChIInChI=1S/C13H23N3O/c1-3-10-16-12(7-9-15-16)13(17)5-4-11(2)6-8-14/h7,9,11H,3-6,8,10,14H2,1-2H3
InChIKeyNUCJWQKEPNCGRI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds8

About 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one

6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one (PubChem CID 116581593) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
PubChem CID116581593
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
SMILESCCCn1nccc1C(=O)CCC(C)CCN
InChIInChI=1S/C13H23N3O/c1-3-10-16-12(7-9-15-16)13(17)5-4-11(2)6-8-14/h7,9,11H,3-6,8,10,14H2,1-2H3
InChIKeyNUCJWQKEPNCGRI-UHFFFAOYSA-N
XLogP2.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864
6-amino-1-(4-bromo-1-propylpyrazol-5-yl)-4-methylhexan-1-one
CID 114669755
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
4-(2-aminoethyl)-5-methyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116577831
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-propylpyrazole-3-carboxylic acid
CID 7017775
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209
6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
CID 116574759
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one?
The IUPAC name of 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one (CID 116581593) is 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one is CCCn1nccc1C(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one?
The InChIKey is NUCJWQKEPNCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-10-16-12(7-9-15-16)13(17)5-4-11(2)6-8-14/h7,9,11H,3-6,8,10,14H2,1-2H3.
What are the key properties of 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one?
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one is sourced from PubChem (CID 116581593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).