1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine

C13H16N4O2 — CID 66929216

IUPAC1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine
SMILESCC1(c2cncc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-2-3-19-13)11-4-10(5-15-6-11)8-17-9-12(14)7-16-17/h4-7,9H,2-3,8,14H2,1H3
InChIKeyPBMDTPJIEGUDBQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.13
Rot. Bonds3

About 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine

1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine (PubChem CID 66929216) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine
PubChem CID66929216
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine
SMILESCC1(c2cncc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-2-3-19-13)11-4-10(5-15-6-11)8-17-9-12(14)7-16-17/h4-7,9H,2-3,8,14H2,1H3
InChIKeyPBMDTPJIEGUDBQ-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-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine (CID 66929216) is 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine is CC1(c2cncc(Cn3cc(N)cn3)c2)OCCO1.
What is the InChIKey of 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine?
The InChIKey is PBMDTPJIEGUDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(18-2-3-19-13)11-4-10(5-15-6-11)8-17-9-12(14)7-16-17/h4-7,9H,2-3,8,14H2,1H3.
What are the key properties of 1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine?
1-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-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-[[5-(2-methyl-1,3-dioxolan-2-yl)-3-pyridinyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 66929216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).