3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine

C14H22N4 — CID 114201709

IUPAC3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
SMILESCC(C)CC(C)CC(N)c1cnn2ccncc12
InChIInChI=1S/C14H22N4/c1-10(2)6-11(3)7-13(15)12-8-17-18-5-4-16-9-14(12)18/h4-5,8-11,13H,6-7,15H2,1-3H3
InChIKeyCTKPIPPYJKSTLG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.80
Rot. Bonds5

About 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine

3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine (PubChem CID 114201709) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
PubChem CID114201709
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
SMILESCC(C)CC(C)CC(N)c1cnn2ccncc12
InChIInChI=1S/C14H22N4/c1-10(2)6-11(3)7-13(15)12-8-17-18-5-4-16-9-14(12)18/h4-5,8-11,13H,6-7,15H2,1-3H3
InChIKeyCTKPIPPYJKSTLG-UHFFFAOYSA-N
XLogP2.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126804
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127579
1-pyrazolo[1,5-a]pyrazin-3-ylpent-3-ynylhydrazine
CID 103129490
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127230
2-(2-chloro-6-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126337
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine (CID 114201709) is 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine is CC(C)CC(C)CC(N)c1cnn2ccncc12.
What is the InChIKey of 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine?
The InChIKey is CTKPIPPYJKSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)6-11(3)7-13(15)12-8-17-18-5-4-16-9-14(12)18/h4-5,8-11,13H,6-7,15H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine?
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine is sourced from PubChem (CID 114201709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).