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

C15H22N4O — CID 104731712

IUPAC3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc2c(NCC3(O)CCCC(C)C3)nccn2n1
InChIInChI=1S/C15H22N4O/c1-11-4-3-5-15(20,9-11)10-17-14-13-8-12(2)18-19(13)7-6-16-14/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,16,17)
InChIKeyLNELJVKLDKYWRY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol

3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 104731712) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID104731712
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1cc2c(NCC3(O)CCCC(C)C3)nccn2n1
InChIInChI=1S/C15H22N4O/c1-11-4-3-5-15(20,9-11)10-17-14-13-8-12(2)18-19(13)7-6-16-14/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,16,17)
InChIKeyLNELJVKLDKYWRY-UHFFFAOYSA-N
XLogP2.39
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol (CID 104731712) is 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1cc2c(NCC3(O)CCCC(C)C3)nccn2n1.
What is the InChIKey of 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LNELJVKLDKYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-4-3-5-15(20,9-11)10-17-14-13-8-12(2)18-19(13)7-6-16-14/h6-8,11,20H,3-5,9-10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104731712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).