N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine

C13H19ClN4 — CID 114168556

IUPACN-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(CC)C(Cl)CNc1nccn2nccc12
InChIInChI=1S/C13H19ClN4/c1-3-10(4-2)11(14)9-16-13-12-5-6-17-18(12)8-7-15-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyZDJXJXCUWXHWQF-UHFFFAOYSA-N
MW266.78 g/mol
LogP3.18
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 114168556) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID114168556
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(CC)C(Cl)CNc1nccn2nccc12
InChIInChI=1S/C13H19ClN4/c1-3-10(4-2)11(14)9-16-13-12-5-6-17-18(12)8-7-15-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyZDJXJXCUWXHWQF-UHFFFAOYSA-N
XLogP3.18
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-ethylpentyl)pyrazolo[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

Related Compounds

N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733985
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731641
N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 103462545
4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid
CID 104729693
2,2-dimethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104734329
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428
2-methyl-1-N-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,2-diamine
CID 104732795
2-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,2-diamine
CID 104732618
N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446309
N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104732075
N-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104730607
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730459

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 114168556) is N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine is CCC(CC)C(Cl)CNc1nccn2nccc12.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ZDJXJXCUWXHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-3-10(4-2)11(14)9-16-13-12-5-6-17-18(12)8-7-15-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 266.78 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 114168556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).