N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine

C16H28N4 — CID 72925594

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C16H28N4/c1-13(2)17-11-14-10-16-12-19(8-9-20(16)18-14)15-6-4-3-5-7-15/h10,13,15,17H,3-9,11-12H2,1-2H3
InChIKeyCIMQYCGTPPQMJR-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.53
Rot. Bonds4

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine (PubChem CID 72925594) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine
PubChem CID72925594
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C16H28N4/c1-13(2)17-11-14-10-16-12-19(8-9-20(16)18-14)15-6-4-3-5-7-15/h10,13,15,17H,3-9,11-12H2,1-2H3
InChIKeyCIMQYCGTPPQMJR-UHFFFAOYSA-N
XLogP2.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine (CID 72925594) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2n(n1)CCN(C1CCCCC1)C2.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is CIMQYCGTPPQMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)17-11-14-10-16-12-19(8-9-20(16)18-14)15-6-4-3-5-7-15/h10,13,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 72925594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).