4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one

C14H25N3O — CID 116609163

IUPAC4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H25N3O/c1-4-11(15)9-14(18)10-12-7-8-17(16-12)13(5-2)6-3/h7-8,11,13H,4-6,9-10,15H2,1-3H3
InChIKeyPMFCGYJJOZXVDU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.48
Rot. Bonds8

About 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one

4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one (PubChem CID 116609163) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
PubChem CID116609163
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H25N3O/c1-4-11(15)9-14(18)10-12-7-8-17(16-12)13(5-2)6-3/h7-8,11,13H,4-6,9-10,15H2,1-3H3
InChIKeyPMFCGYJJOZXVDU-UHFFFAOYSA-N
XLogP2.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
3-amino-3-ethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116592810
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
7-amino-5,5-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-one
CID 116574945
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
3-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-one
CID 116590478
1-(1-pentan-3-ylpyrazol-3-yl)-5-(propan-2-ylamino)pentan-2-one
CID 116558310
1-[5-(aminomethyl)furan-2-yl]-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116590162

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one?
The IUPAC name of 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one (CID 116609163) is 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one?
The canonical SMILES for 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one is CCC(N)CC(=O)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one?
The InChIKey is PMFCGYJJOZXVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-11(15)9-14(18)10-12-7-8-17(16-12)13(5-2)6-3/h7-8,11,13H,4-6,9-10,15H2,1-3H3.
What are the key properties of 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one?
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one is sourced from PubChem (CID 116609163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).