3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane

C21H27ClFN7O3 — CID 169142205

IUPAC3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane
SMILESCCOC(=O)NC12CC(C1)C2.Clc1cnn2ccnc(Nc3ccn[nH]3)c12.FC1CCOC1
InChIInChI=1S/C9H7ClN6.C8H13NO2.C4H7FO/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-2-11-7(10)9-8-3-6(4-8)5-8;5-4-1-2-6-3-4/h1-5H,(H2,11,12,14,15);6H,2-5H2,1H3,(H,9,10);4H,1-3H2
InChIKeyJYSYTEJLELUNRA-UHFFFAOYSA-N
MW479.94 g/mol
LogP3.88
Rot. Bonds4

About 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane

3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane (PubChem CID 169142205) has the molecular formula C21H27ClFN7O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane.

Molecular Properties

Compound Name3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane
PubChem CID169142205
Molecular FormulaC21H27ClFN7O3
Molecular Weight479.94 g/mol
Exact Mass479.18
IUPAC Name3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane
SMILESCCOC(=O)NC12CC(C1)C2.Clc1cnn2ccnc(Nc3ccn[nH]3)c12.FC1CCOC1
InChIInChI=1S/C9H7ClN6.C8H13NO2.C4H7FO/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-2-11-7(10)9-8-3-6(4-8)5-8;5-4-1-2-6-3-4/h1-5H,(H2,11,12,14,15);6H,2-5H2,1H3,(H,9,10);4H,1-3H2
InChIKeyJYSYTEJLELUNRA-UHFFFAOYSA-N
XLogP3.88
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane?
The IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane (CID 169142205) is 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane.
What is the SMILES notation for 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane?
The canonical SMILES for 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane is CCOC(=O)NC12CC(C1)C2.Clc1cnn2ccnc(Nc3ccn[nH]3)c12.FC1CCOC1.
What is the InChIKey of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane?
The InChIKey is JYSYTEJLELUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6.C8H13NO2.C4H7FO/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-2-11-7(10)9-8-3-6(4-8)5-8;5-4-1-2-6-3-4/h1-5H,(H2,11,12,14,15);6H,2-5H2,1H3,(H,9,10);4H,1-3H2.
What are the key properties of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane?
3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane has a molecular weight of 479.94 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;ethyl N-(1-bicyclo[1.1.1]pentanyl)carbamate;3-fluorooxolane is sourced from PubChem (CID 169142205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).