3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

C22H28FN9O3 — CID 169141234

IUPAC3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1(NC(=O)O)CC1.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCOC1
InChIInChI=1S/C13H12N8.C5H9NO2.C4H7FO/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;1-5(2-3-5)6-4(7)8;5-4-1-2-6-3-4/h2-8H,1H3,(H2,14,17,18,19);6H,2-3H2,1H3,(H,7,8);4H,1-3H2
InChIKeyGVBMKBWQOKFNKR-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.15
Rot. Bonds4

About 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 169141234) has the molecular formula C22H28FN9O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID169141234
Molecular FormulaC22H28FN9O3
Molecular Weight485.52 g/mol
Exact Mass485.23
IUPAC Name3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1(NC(=O)O)CC1.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCOC1
InChIInChI=1S/C13H12N8.C5H9NO2.C4H7FO/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;1-5(2-3-5)6-4(7)8;5-4-1-2-6-3-4/h2-8H,1H3,(H2,14,17,18,19);6H,2-3H2,1H3,(H,7,8);4H,1-3H2
InChIKeyGVBMKBWQOKFNKR-UHFFFAOYSA-N
XLogP3.15
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 169141234) is 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is CC1(NC(=O)O)CC1.Cn1cc(-c2cn3nccc3c(Nc3ccn[nH]3)n2)cn1.FC1CCOC1.
What is the InChIKey of 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GVBMKBWQOKFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8.C5H9NO2.C4H7FO/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;1-5(2-3-5)6-4(7)8;5-4-1-2-6-3-4/h2-8H,1H3,(H2,14,17,18,19);6H,2-3H2,1H3,(H,7,8);4H,1-3H2.
What are the key properties of 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 485.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxolane;(1-methylcyclopropyl)carbamic acid;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 169141234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).