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

C22H30FN9O2 — CID 169140920

IUPACfluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCCC1
InChIInChI=1S/C13H12N8.C5H9F.C4H9NO2/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;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h2-8H,1H3,(H2,14,17,18,19);5H,1-4H2;3,5H,1-2H3,(H,6,7)
InChIKeyGXBDSIXVIMOYGE-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.16
Rot. Bonds4

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

fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid (PubChem CID 169140920) has the molecular formula C22H30FN9O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid.

Molecular Properties

Compound Namefluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
PubChem CID169140920
Molecular FormulaC22H30FN9O2
Molecular Weight471.54 g/mol
Exact Mass471.25
IUPAC Namefluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCCC1
InChIInChI=1S/C13H12N8.C5H9F.C4H9NO2/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;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h2-8H,1H3,(H2,14,17,18,19);5H,1-4H2;3,5H,1-2H3,(H,6,7)
InChIKeyGXBDSIXVIMOYGE-UHFFFAOYSA-N
XLogP4.16
TPSA138.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The IUPAC name of fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid (CID 169140920) is fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid.
What is the SMILES notation for fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The canonical SMILES for fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid is CC(C)NC(=O)O.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCCC1.
What is the InChIKey of fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
The InChIKey is GXBDSIXVIMOYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8.C5H9F.C4H9NO2/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;6-5-3-1-2-4-5;1-3(2)5-4(6)7/h2-8H,1H3,(H2,14,17,18,19);5H,1-4H2;3,5H,1-2H3,(H,6,7).
What are the key properties of fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid?
fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid has a molecular weight of 471.54 g/mol, XLogP of 4.16, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid is sourced from PubChem (CID 169140920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).