4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine

C16H25N5 — CID 70772346

IUPAC4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCCc1cc(NC2CCC(N)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5/c1-4-13-9-15(18-14-7-5-12(17)6-8-14)21-16(19-13)10(2)11(3)20-21/h9,12,14,18H,4-8,17H2,1-3H3
InChIKeyYUCVMBDMMQKPEU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.59
Rot. Bonds3

About 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine

4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine (PubChem CID 70772346) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
PubChem CID70772346
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCCc1cc(NC2CCC(N)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5/c1-4-13-9-15(18-14-7-5-12(17)6-8-14)21-16(19-13)10(2)11(3)20-21/h9,12,14,18H,4-8,17H2,1-3H3
InChIKeyYUCVMBDMMQKPEU-UHFFFAOYSA-N
XLogP2.59
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine (CID 70772346) is 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine is CCc1cc(NC2CCC(N)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The InChIKey is YUCVMBDMMQKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-13-9-15(18-14-7-5-12(17)6-8-14)21-16(19-13)10(2)11(3)20-21/h9,12,14,18H,4-8,17H2,1-3H3.
What are the key properties of 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 70772346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).