N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H17N5 — CID 113390907

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCn1ncc(CNc2ccc3c(n2)CCC3)c1N
InChIInChI=1S/C13H17N5/c1-18-13(14)10(8-16-18)7-15-12-6-5-9-3-2-4-11(9)17-12/h5-6,8H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyZRNABQYIVGGRKM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.50
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390907) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390907
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCn1ncc(CNc2ccc3c(n2)CCC3)c1N
InChIInChI=1S/C13H17N5/c1-18-13(14)10(8-16-18)7-15-12-6-5-9-3-2-4-11(9)17-12/h5-6,8H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyZRNABQYIVGGRKM-UHFFFAOYSA-N
XLogP1.50
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390907) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is Cn1ncc(CNc2ccc3c(n2)CCC3)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is ZRNABQYIVGGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18-13(14)10(8-16-18)7-15-12-6-5-9-3-2-4-11(9)17-12/h5-6,8H,2-4,7,14H2,1H3,(H,15,17).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).