3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol

C16H24N4O — CID 106127769

IUPAC3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)(C)c1cc2c(NCC3CCC(O)C3)nccn2n1
InChIInChI=1S/C16H24N4O/c1-16(2,3)14-9-13-15(17-6-7-20(13)19-14)18-10-11-4-5-12(21)8-11/h6-7,9,11-12,21H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyAYXJURDCJNXFOB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.60
Rot. Bonds3

About 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106127769) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106127769
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)(C)c1cc2c(NCC3CCC(O)C3)nccn2n1
InChIInChI=1S/C16H24N4O/c1-16(2,3)14-9-13-15(17-6-7-20(13)19-14)18-10-11-4-5-12(21)8-11/h6-7,9,11-12,21H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyAYXJURDCJNXFOB-UHFFFAOYSA-N
XLogP2.60
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
CID 104731784
2-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732422
2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106026820
N-[(3-chlorocyclobutyl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734009
1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 106127875
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
N-[(4-aminocyclohexyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 106128757
2-tert-butyl-N-(2-chloroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733907
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730858
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106127769) is 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol is CC(C)(C)c1cc2c(NCC3CCC(O)C3)nccn2n1.
What is the InChIKey of 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is AYXJURDCJNXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,3)14-9-13-15(17-6-7-20(13)19-14)18-10-11-4-5-12(21)8-11/h6-7,9,11-12,21H,4-5,8,10H2,1-3H3,(H,17,18).
What are the key properties of 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106127769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).