1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide

C15H19N5O — CID 64782087

IUPAC1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C15H19N5O/c1-19(2)15(21)13-6-7-20(18-13)14-11(9-16)8-10-4-3-5-12(10)17-14/h6-8H,3-5,9,16H2,1-2H3
InChIKeyJEHZHVKTERRRFX-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.92
Rot. Bonds3

About 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide

1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64782087) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64782087
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C15H19N5O/c1-19(2)15(21)13-6-7-20(18-13)14-11(9-16)8-10-4-3-5-12(10)17-14/h6-8H,3-5,9,16H2,1-2H3
InChIKeyJEHZHVKTERRRFX-UHFFFAOYSA-N
XLogP0.92
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide (CID 64782087) is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1.
What is the InChIKey of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is JEHZHVKTERRRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19(2)15(21)13-6-7-20(18-13)14-11(9-16)8-10-4-3-5-12(10)17-14/h6-8H,3-5,9,16H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64782087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).