1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone

C16H20N4O — CID 116601990

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNCc1cc(C(=O)Cc2ccn(C3CCCC3)n2)ccn1
InChIInChI=1S/C16H20N4O/c17-11-14-9-12(5-7-18-14)16(21)10-13-6-8-20(19-13)15-3-1-2-4-15/h5-9,15H,1-4,10-11,17H2
InChIKeyJIOUNBCPAROIGH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone

1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 116601990) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID116601990
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNCc1cc(C(=O)Cc2ccn(C3CCCC3)n2)ccn1
InChIInChI=1S/C16H20N4O/c17-11-14-9-12(5-7-18-14)16(21)10-13-6-8-20(19-13)15-3-1-2-4-15/h5-9,15H,1-4,10-11,17H2
InChIKeyJIOUNBCPAROIGH-UHFFFAOYSA-N
XLogP2.28
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116581952
1-(3-chloro-4-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784321
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
[2-(aminomethyl)-4-pyridinyl]-cyclohexylmethanone
CID 116601749
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 116585300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 116601990) is 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone is NCc1cc(C(=O)Cc2ccn(C3CCCC3)n2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is JIOUNBCPAROIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-11-14-9-12(5-7-18-14)16(21)10-13-6-8-20(19-13)15-3-1-2-4-15/h5-9,15H,1-4,10-11,17H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116601990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).