3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one

C16H27N3O — CID 116592808

IUPAC3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-3-16(17,4-2)15(20)12-13-10-11-19(18-13)14-8-6-5-7-9-14/h10-11,14H,3-9,12,17H2,1-2H3
InChIKeyAZKJYKBRYITZGX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.02
Rot. Bonds6

About 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one

3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one (PubChem CID 116592808) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one.

Molecular Properties

Compound Name3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
PubChem CID116592808
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
SMILESCCC(N)(CC)C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-3-16(17,4-2)15(20)12-13-10-11-19(18-13)14-8-6-5-7-9-14/h10-11,14H,3-9,12,17H2,1-2H3
InChIKeyAZKJYKBRYITZGX-UHFFFAOYSA-N
XLogP3.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
CID 79052000
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one?
The IUPAC name of 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one (CID 116592808) is 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one.
What is the SMILES notation for 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one?
The canonical SMILES for 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one is CCC(N)(CC)C(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one?
The InChIKey is AZKJYKBRYITZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-16(17,4-2)15(20)12-13-10-11-19(18-13)14-8-6-5-7-9-14/h10-11,14H,3-9,12,17H2,1-2H3.
What are the key properties of 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one?
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one is sourced from PubChem (CID 116592808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).