1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine

C13H16N4O2 — CID 66928657

IUPAC1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine
SMILESCC1(c2ccnc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-4-5-19-13)10-2-3-15-12(6-10)9-17-8-11(14)7-16-17/h2-3,6-8H,4-5,9,14H2,1H3
InChIKeyYAKWBWRXRALHKX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.13
Rot. Bonds3

About 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine

1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine (PubChem CID 66928657) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine
PubChem CID66928657
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine
SMILESCC1(c2ccnc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-4-5-19-13)10-2-3-15-12(6-10)9-17-8-11(14)7-16-17/h2-3,6-8H,4-5,9,14H2,1H3
InChIKeyYAKWBWRXRALHKX-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine (CID 66928657) is 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine is CC1(c2ccnc(Cn3cc(N)cn3)c2)OCCO1.
What is the InChIKey of 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine?
The InChIKey is YAKWBWRXRALHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(18-4-5-19-13)10-2-3-15-12(6-10)9-17-8-11(14)7-16-17/h2-3,6-8H,4-5,9,14H2,1H3.
What are the key properties of 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine?
1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 66928657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).