6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid

C21H29N9O3 — CID 169140872

IUPAC6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid
SMILESC1CCOC1.CC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1
InChIInChI=1S/C13H12N8.C4H9NO2.C4H8O/c1-20-7-9(6-16-20)10-8-21-11(2-5-15-21)13(17-10)18-12-3-4-14-19-12;1-3(2)5-4(6)7;1-2-4-5-3-1/h2-8H,1H3,(H2,14,17,18,19);3,5H,1-2H3,(H,6,7);1-4H2
InChIKeyBCBVWIDJLMILFJ-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.06
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid

6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid (PubChem CID 169140872) has the molecular formula C21H29N9O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid
PubChem CID169140872
Molecular FormulaC21H29N9O3
Molecular Weight455.52 g/mol
Exact Mass455.24
IUPAC Name6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid
SMILESC1CCOC1.CC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1
InChIInChI=1S/C13H12N8.C4H9NO2.C4H8O/c1-20-7-9(6-16-20)10-8-21-11(2-5-15-21)13(17-10)18-12-3-4-14-19-12;1-3(2)5-4(6)7;1-2-4-5-3-1/h2-8H,1H3,(H2,14,17,18,19);3,5H,1-2H3,(H,6,7);1-4H2
InChIKeyBCBVWIDJLMILFJ-UHFFFAOYSA-N
XLogP3.06
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid (CID 169140872) is 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid is C1CCOC1.CC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid?
The InChIKey is BCBVWIDJLMILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8.C4H9NO2.C4H8O/c1-20-7-9(6-16-20)10-8-21-11(2-5-15-21)13(17-10)18-12-3-4-14-19-12;1-3(2)5-4(6)7;1-2-4-5-3-1/h2-8H,1H3,(H2,14,17,18,19);3,5H,1-2H3,(H,6,7);1-4H2.
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid?
6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid has a molecular weight of 455.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid is sourced from PubChem (CID 169140872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).