N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine

C16H25N5 — CID 104732568

IUPACN-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NC3CCCCNC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-6-4-5-7-17-11-12/h8-10,12,17H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyPWCKRDIQLNQDHR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.58
Rot. Bonds2

About N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine

N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732568) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732568
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NC3CCCCNC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-6-4-5-7-17-11-12/h8-10,12,17H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyPWCKRDIQLNQDHR-UHFFFAOYSA-N
XLogP2.58
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azepan-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732569
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
CID 102738846
2-tert-butyl-N-(2-methylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731441
2-tert-butyl-N-(2,2-dimethylcyclopentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731855
2-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732422
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
2-tert-butyl-N-[3-(chloromethyl)pentan-3-yl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104733983
N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 138053057
2-tert-butyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 106026820
N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732524
1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
CID 63321025

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine (CID 104732568) is N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NC3CCCCNC3)nccn2n1.
What is the InChIKey of N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is PWCKRDIQLNQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-6-4-5-7-17-11-12/h8-10,12,17H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine?
N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).