N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine

C17H27N5 — CID 56887823

IUPACN-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCc1cc(N(C)CCN(C)C2CCCC2)n2nc(C)cc2n1
InChIInChI=1S/C17H27N5/c1-13-12-17(22-16(18-13)11-14(2)19-22)21(4)10-9-20(3)15-7-5-6-8-15/h11-12,15H,5-10H2,1-4H3
InChIKeyHKGVWPIQUHNMPS-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine

N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 56887823) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID56887823
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCc1cc(N(C)CCN(C)C2CCCC2)n2nc(C)cc2n1
InChIInChI=1S/C17H27N5/c1-13-12-17(22-16(18-13)11-14(2)19-22)21(4)10-9-20(3)15-7-5-6-8-15/h11-12,15H,5-10H2,1-4H3
InChIKeyHKGVWPIQUHNMPS-UHFFFAOYSA-N
XLogP2.66
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine (CID 56887823) is N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine is Cc1cc(N(C)CCN(C)C2CCCC2)n2nc(C)cc2n1.
What is the InChIKey of N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is HKGVWPIQUHNMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-13-12-17(22-16(18-13)11-14(2)19-22)21(4)10-9-20(3)15-7-5-6-8-15/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine?
N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 56887823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).