N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C16H22N4 — CID 106177522

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCCC3=CCCC3)nccn2n1
InChIInChI=1S/C16H22N4/c1-12(2)14-11-15-16(18-9-10-20(15)19-14)17-8-7-13-5-3-4-6-13/h5,9-12H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyFFGPAHGEYVFWBH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106177522) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106177522
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCCC3=CCCC3)nccn2n1
InChIInChI=1S/C16H22N4/c1-12(2)14-11-15-16(18-9-10-20(15)19-14)17-8-7-13-5-3-4-6-13/h5,9-12H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyFFGPAHGEYVFWBH-UHFFFAOYSA-N
XLogP3.77
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731912
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106418512
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
CID 107153114
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 106177522) is N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCCC3=CCCC3)nccn2n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FFGPAHGEYVFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)14-11-15-16(18-9-10-20(15)19-14)17-8-7-13-5-3-4-6-13/h5,9-12H,3-4,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106177522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).