1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone

C16H25N3O — CID 116601079

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNCC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCC1
InChIInChI=1S/C16H25N3O/c17-12-16(8-3-4-9-16)15(20)11-13-7-10-19(18-13)14-5-1-2-6-14/h7,10,14H,1-6,8-9,11-12,17H2
InChIKeyNDIQKSKLBYEWBE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.63
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone

1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 116601079) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID116601079
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNCC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCC1
InChIInChI=1S/C16H25N3O/c17-12-16(8-3-4-9-16)15(20)11-13-7-10-19(18-13)14-5-1-2-6-14/h7,10,14H,1-6,8-9,11-12,17H2
InChIKeyNDIQKSKLBYEWBE-UHFFFAOYSA-N
XLogP2.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569543
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116604079
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783654
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 116601079) is 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone is NCC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is NDIQKSKLBYEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-12-16(8-3-4-9-16)15(20)11-13-7-10-19(18-13)14-5-1-2-6-14/h7,10,14H,1-6,8-9,11-12,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116601079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).