N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C16H25N5 — CID 104734256

IUPACN-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3CCCCC3N)nccn2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-5-3-4-6-13(12)17/h7-9,11-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyBYLFLVHWFAOVPL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734256) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734256
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3CCCCC3N)nccn2n1
InChIInChI=1S/C16H25N5/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-5-3-4-6-13(12)17/h7-9,11-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyBYLFLVHWFAOVPL-UHFFFAOYSA-N
XLogP2.78
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734256) is N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCC3CCCCC3N)nccn2n1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is BYLFLVHWFAOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-5-3-4-6-13(12)17/h7-9,11-13H,3-6,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).