3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane

C18H24BrN7O3 — CID 169141362

IUPAC3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCOC1.CC1(NC(=O)O)CC1
InChIInChI=1S/C9H7BrN6.C5H9NO2.C4H8O/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyOLGFOTDHJAJRNJ-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.56
Rot. Bonds3

About 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane

3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane (PubChem CID 169141362) has the molecular formula C18H24BrN7O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
PubChem CID169141362
Molecular FormulaC18H24BrN7O3
Molecular Weight466.34 g/mol
Exact Mass465.11
IUPAC Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCOC1.CC1(NC(=O)O)CC1
InChIInChI=1S/C9H7BrN6.C5H9NO2.C4H8O/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyOLGFOTDHJAJRNJ-UHFFFAOYSA-N
XLogP3.56
TPSA129.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane?
The IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane (CID 169141362) is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane is Brc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCOC1.CC1(NC(=O)O)CC1.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane?
The InChIKey is OLGFOTDHJAJRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6.C5H9NO2.C4H8O/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-4H2.
What are the key properties of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane?
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane has a molecular weight of 466.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane is sourced from PubChem (CID 169141362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).