N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine

C15H18N4S — CID 103126662

IUPACN-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnn2ccncc12
InChIInChI=1S/C15H18N4S/c1-2-5-17-14(9-12-4-3-8-20-12)13-10-18-19-7-6-16-11-15(13)19/h3-4,6-8,10-11,14,17H,2,5,9H2,1H3
InChIKeyMHWJJRDYQUFPGD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.07
Rot. Bonds6

About N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine

N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 103126662) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
PubChem CID103126662
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnn2ccncc12
InChIInChI=1S/C15H18N4S/c1-2-5-17-14(9-12-4-3-8-20-12)13-10-18-19-7-6-16-11-15(13)19/h3-4,6-8,10-11,14,17H,2,5,9H2,1H3
InChIKeyMHWJJRDYQUFPGD-UHFFFAOYSA-N
XLogP3.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126678
1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127230
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-3-ylethanamine
CID 103126767
N-[pyrazin-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103127215
N-[(2-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103126263
N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
CID 103126679
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
[pyrazolo[1,5-a]pyrazin-3-yl(thiophen-2-yl)methyl]hydrazine
CID 103129456
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine (CID 103126662) is N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine is CCCNC(Cc1cccs1)c1cnn2ccncc12.
What is the InChIKey of N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is MHWJJRDYQUFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-5-17-14(9-12-4-3-8-20-12)13-10-18-19-7-6-16-11-15(13)19/h3-4,6-8,10-11,14,17H,2,5,9H2,1H3.
What are the key properties of N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine?
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 103126662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).