3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid

C17H23ClFN7O3 — CID 169141611

IUPAC3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O.Clc1cnn2ccnc(Nc3ccn[nH]3)c12.FC1CCOC1
InChIInChI=1S/C9H7ClN6.C4H7FO.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;5-4-1-2-6-3-4;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);4H,1-3H2;3,5H,1-2H3,(H,6,7)
InChIKeyFYAFLWZXFKILCB-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid

3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid (PubChem CID 169141611) has the molecular formula C17H23ClFN7O3 and a molecular weight of 427.87 g/mol. Its IUPAC name is 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid.

Molecular Properties

Compound Name3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid
PubChem CID169141611
Molecular FormulaC17H23ClFN7O3
Molecular Weight427.87 g/mol
Exact Mass427.15
IUPAC Name3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid
SMILESCC(C)NC(=O)O.Clc1cnn2ccnc(Nc3ccn[nH]3)c12.FC1CCOC1
InChIInChI=1S/C9H7ClN6.C4H7FO.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;5-4-1-2-6-3-4;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);4H,1-3H2;3,5H,1-2H3,(H,6,7)
InChIKeyFYAFLWZXFKILCB-UHFFFAOYSA-N
XLogP3.26
TPSA129.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxolane;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 164879899
cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 164880129
6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane;propan-2-ylcarbamic acid
CID 169140872
fluorocyclopentane;6-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
CID 169140920
1-bicyclo[1.1.1]pentanylcarbamic acid;3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane
CID 169140930
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;propan-2-ylcarbamic acid
CID 169141112
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
7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
CID 169141287
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
CID 169141362
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;propan-2-ylcarbamic acid
CID 169141581
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
ethane;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;propan-2-ylcarbamic acid
CID 169142251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid?
The IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid (CID 169141611) is 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid.
What is the SMILES notation for 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid?
The canonical SMILES for 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid is CC(C)NC(=O)O.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;3-fluorooxolane;propan-2-ylcarbamic acid?
The InChIKey is FYAFLWZXFKILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6.C4H7FO.C4H9NO2/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;5-4-1-2-6-3-4;1-3(2)5-4(6)7/h1-5H,(H2,11,12,14,15);4H,1-3H2;3,5H,1-2H3,(H,6,7).
What are the key properties of 3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid?
3-chloro-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;3-fluorooxolane;propan-2-ylcarbamic acid has a molecular weight of 427.87 g/mol, XLogP of 3.26, 3 rotatable bonds, 4 hydrogen bond donors, and 7 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;3-fluorooxolane;propan-2-ylcarbamic acid is sourced from PubChem (CID 169141611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).