1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine

C13H14N4S — CID 103127230

IUPAC1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn2ccncc12
InChIInChI=1S/C13H14N4S/c14-12(4-3-10-2-1-7-18-10)11-8-16-17-6-5-15-9-13(11)17/h1-2,5-9,12H,3-4,14H2
InChIKeyRKWZKSUTWSWYFA-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.42
Rot. Bonds4

About 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine

1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 103127230) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID103127230
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn2ccncc12
InChIInChI=1S/C13H14N4S/c14-12(4-3-10-2-1-7-18-10)11-8-16-17-6-5-15-9-13(11)17/h1-2,5-9,12H,3-4,14H2
InChIKeyRKWZKSUTWSWYFA-UHFFFAOYSA-N
XLogP2.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[pyrazolo[1,5-a]pyrazin-3-yl(thiophen-2-yl)methyl]hydrazine
CID 103129456
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
CID 103126662
N-methyl-1-pyrazolo[1,5-a]pyridin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127224
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 114201709
3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126804
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127934
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126337
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148

Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine (CID 103127230) is 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1cnn2ccncc12.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is RKWZKSUTWSWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c14-12(4-3-10-2-1-7-18-10)11-8-16-17-6-5-15-9-13(11)17/h1-2,5-9,12H,3-4,14H2.
What are the key properties of 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine?
1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 258.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 103127230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).