4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol

C13H18N4O — CID 104925008

IUPAC4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol
SMILESCc1cc2c(NC3CCC(O)CC3)nccn2n1
InChIInChI=1S/C13H18N4O/c1-9-8-12-13(14-6-7-17(12)16-9)15-10-2-4-11(18)5-3-10/h6-8,10-11,18H,2-5H2,1H3,(H,14,15)
InChIKeyBUNALAAPICKVOB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol

4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol (PubChem CID 104925008) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol
PubChem CID104925008
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol
SMILESCc1cc2c(NC3CCC(O)CC3)nccn2n1
InChIInChI=1S/C13H18N4O/c1-9-8-12-13(14-6-7-17(12)16-9)15-10-2-4-11(18)5-3-10/h6-8,10-11,18H,2-5H2,1H3,(H,14,15)
InChIKeyBUNALAAPICKVOB-UHFFFAOYSA-N
XLogP1.75
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol (CID 104925008) is 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol is Cc1cc2c(NC3CCC(O)CC3)nccn2n1.
What is the InChIKey of 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is BUNALAAPICKVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-8-12-13(14-6-7-17(12)16-9)15-10-2-4-11(18)5-3-10/h6-8,10-11,18H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol?
4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 104925008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).