4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

C16H24N4O — CID 70753715

IUPAC4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCCc1cc(NC2CCC(O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H24N4O/c1-4-12-9-15(17-13-5-7-14(21)8-6-13)20-16(18-12)10(2)11(3)19-20/h9,13-14,17,21H,4-8H2,1-3H3
InChIKeySGDXOBBFGZXKGH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.62
Rot. Bonds3

About 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (PubChem CID 70753715) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
PubChem CID70753715
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCCc1cc(NC2CCC(O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H24N4O/c1-4-12-9-15(17-13-5-7-14(21)8-6-13)20-16(18-12)10(2)11(3)19-20/h9,13-14,17,21H,4-8H2,1-3H3
InChIKeySGDXOBBFGZXKGH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (CID 70753715) is 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is CCc1cc(NC2CCC(O)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The InChIKey is SGDXOBBFGZXKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-12-9-15(17-13-5-7-14(21)8-6-13)20-16(18-12)10(2)11(3)19-20/h9,13-14,17,21H,4-8H2,1-3H3.
What are the key properties of 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 70753715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).