[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

C15H20N4 — CID 62488466

IUPAC[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCC(C)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C15H20N4/c1-10(2)13-6-7-19(18-13)15-12(9-16)8-11-4-3-5-14(11)17-15/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyBNZKNWDIJOSQLO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds3

About [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (PubChem CID 62488466) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
PubChem CID62488466
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCC(C)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C15H20N4/c1-10(2)13-6-7-19(18-13)15-12(9-16)8-11-4-3-5-14(11)17-15/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyBNZKNWDIJOSQLO-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The IUPAC name of [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (CID 62488466) is [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is CC(C)c1ccn(-c2nc3c(cc2CN)CCC3)n1.
What is the InChIKey of [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The InChIKey is BNZKNWDIJOSQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10(2)13-6-7-19(18-13)15-12(9-16)8-11-4-3-5-14(11)17-15/h6-8,10H,3-5,9,16H2,1-2H3.
What are the key properties of [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
[2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-ylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is sourced from PubChem (CID 62488466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).