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

C14H21ClN4O — CID 106153686

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOCC(CCCl)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H21ClN4O/c1-10(2)12-8-13-14(16-6-7-19(13)18-12)17-11(4-5-15)9-20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyWVSPRZCNBASQJV-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.91
Rot. Bonds7

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

N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106153686) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106153686
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCOCC(CCCl)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H21ClN4O/c1-10(2)12-8-13-14(16-6-7-19(13)18-12)17-11(4-5-15)9-20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyWVSPRZCNBASQJV-UHFFFAOYSA-N
XLogP2.91
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 106153686) is N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is COCC(CCCl)Nc1nccn2nc(C(C)C)cc12.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is WVSPRZCNBASQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-10(2)12-8-13-14(16-6-7-19(13)18-12)17-11(4-5-15)9-20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106153686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).