1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide

C14H17N5O — CID 129052542

IUPAC1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCc3cccnc32)cn1
InChIInChI=1S/C14H17N5O/c15-5-7-19-9-11(8-17-19)14(20)18-12-4-3-10-2-1-6-16-13(10)12/h1-2,6,8-9,12H,3-5,7,15H2,(H,18,20)
InChIKeyJXVLFLBFMXEWFJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide

1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide (PubChem CID 129052542) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide
PubChem CID129052542
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCc3cccnc32)cn1
InChIInChI=1S/C14H17N5O/c15-5-7-19-9-11(8-17-19)14(20)18-12-4-3-10-2-1-6-16-13(10)12/h1-2,6,8-9,12H,3-5,7,15H2,(H,18,20)
InChIKeyJXVLFLBFMXEWFJ-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide (CID 129052542) is 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide is NCCn1cc(C(=O)NC2CCc3cccnc32)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide?
The InChIKey is JXVLFLBFMXEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-5-7-19-9-11(8-17-19)14(20)18-12-4-3-10-2-1-6-16-13(10)12/h1-2,6,8-9,12H,3-5,7,15H2,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide?
1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 129052542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).