4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine

C15H23N5 — CID 146558727

IUPAC4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1cc(NC2CCC(N)CC2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-10(2)13-9-15(20-14(19-13)7-8-17-20)18-12-5-3-11(16)4-6-12/h7-12,18H,3-6,16H2,1-2H3
InChIKeyGKGYWAYUFTYFFF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds3

About 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine

4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine (PubChem CID 146558727) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
PubChem CID146558727
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1cc(NC2CCC(N)CC2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-10(2)13-9-15(20-14(19-13)7-8-17-20)18-12-5-3-11(16)4-6-12/h7-12,18H,3-6,16H2,1-2H3
InChIKeyGKGYWAYUFTYFFF-UHFFFAOYSA-N
XLogP2.53
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine (CID 146558727) is 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine is CC(C)c1cc(NC2CCC(N)CC2)n2nccc2n1.
What is the InChIKey of 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The InChIKey is GKGYWAYUFTYFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10(2)13-9-15(20-14(19-13)7-8-17-20)18-12-5-3-11(16)4-6-12/h7-12,18H,3-6,16H2,1-2H3.
What are the key properties of 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine?
4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 146558727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).