N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C15H17ClN4S — CID 104731052

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC(C)c3ccc(Cl)s3)nccn2n1
InChIInChI=1S/C15H17ClN4S/c1-9(2)11-8-12-15(17-6-7-20(12)19-11)18-10(3)13-4-5-14(16)21-13/h4-10H,1-3H3,(H,17,18)
InChIKeyGJOGRJIAOHPUPV-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.74
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731052) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731052
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NC(C)c3ccc(Cl)s3)nccn2n1
InChIInChI=1S/C15H17ClN4S/c1-9(2)11-8-12-15(17-6-7-20(12)19-11)18-10(3)13-4-5-14(16)21-13/h4-10H,1-3H3,(H,17,18)
InChIKeyGJOGRJIAOHPUPV-UHFFFAOYSA-N
XLogP4.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731052) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NC(C)c3ccc(Cl)s3)nccn2n1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GJOGRJIAOHPUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-9(2)11-8-12-15(17-6-7-20(12)19-11)18-10(3)13-4-5-14(16)21-13/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 320.85 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).