2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C13H15ClN6 — CID 103127505

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCc1nn(C)c(CC(N)c2cnn3ccncc23)c1Cl
InChIInChI=1S/C13H15ClN6/c1-8-13(14)11(19(2)18-8)5-10(15)9-6-17-20-4-3-16-7-12(9)20/h3-4,6-7,10H,5,15H2,1-2H3
InChIKeyLQRWYTXMDAYBOM-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103127505) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103127505
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCc1nn(C)c(CC(N)c2cnn3ccncc23)c1Cl
InChIInChI=1S/C13H15ClN6/c1-8-13(14)11(19(2)18-8)5-10(15)9-6-17-20-4-3-16-7-12(9)20/h3-4,6-7,10H,5,15H2,1-2H3
InChIKeyLQRWYTXMDAYBOM-UHFFFAOYSA-N
XLogP1.67
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129772
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127579
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
(4-chloro-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128263
3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126804
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 114201709
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103127505) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is Cc1nn(C)c(CC(N)c2cnn3ccncc23)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is LQRWYTXMDAYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c1-8-13(14)11(19(2)18-8)5-10(15)9-6-17-20-4-3-16-7-12(9)20/h3-4,6-7,10H,5,15H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 290.76 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103127505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).