1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine

C13H14N4O2 — CID 141238141

IUPAC1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
SMILESCC1(c2cccc(Cn3ccc(N)n3)n2)OC=CO1
InChIInChI=1S/C13H14N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-8H,9H2,1H3,(H2,14,16)
InChIKeyRJMOZZNVBLJUBA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.60
Rot. Bonds3

About 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine

1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine (PubChem CID 141238141) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
PubChem CID141238141
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
SMILESCC1(c2cccc(Cn3ccc(N)n3)n2)OC=CO1
InChIInChI=1S/C13H14N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-8H,9H2,1H3,(H2,14,16)
InChIKeyRJMOZZNVBLJUBA-UHFFFAOYSA-N
XLogP1.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine (CID 141238141) is 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine is CC1(c2cccc(Cn3ccc(N)n3)n2)OC=CO1.
What is the InChIKey of 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The InChIKey is RJMOZZNVBLJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-8H,9H2,1H3,(H2,14,16).
What are the key properties of 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine has a molecular weight of 258.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methyl-1,3-dioxol-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 141238141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).