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

C17H26N4 — CID 104731430

IUPACN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1CCC(CNc2nccn3nc(C(C)C)cc23)CC1
InChIInChI=1S/C17H26N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h8-10,12-14H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyADQUNDFSASDMNE-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds4

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

N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731430) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731430
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC1CCC(CNc2nccn3nc(C(C)C)cc23)CC1
InChIInChI=1S/C17H26N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h8-10,12-14H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyADQUNDFSASDMNE-UHFFFAOYSA-N
XLogP4.09
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104731430) is N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC1CCC(CNc2nccn3nc(C(C)C)cc23)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ADQUNDFSASDMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)15-10-16-17(18-8-9-21(16)20-15)19-11-14-6-4-13(3)5-7-14/h8-10,12-14H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).