N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C14H21ClN4 — CID 113499999

IUPACN-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Cl)CCN(C)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H21ClN4/c1-10(2)12-9-13-14(16-6-8-19(13)17-12)18(4)7-5-11(3)15/h6,8-11H,5,7H2,1-4H3
InChIKeyPUZHZGWOHGELAW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113499999) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113499999
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(Cl)CCN(C)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C14H21ClN4/c1-10(2)12-9-13-14(16-6-8-19(13)17-12)18(4)7-5-11(3)15/h6,8-11H,5,7H2,1-4H3
InChIKeyPUZHZGWOHGELAW-UHFFFAOYSA-N
XLogP3.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chlorobutyl)-N-methyl-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

Related Compounds

N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
CID 104729261
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
CID 104730009
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N-(3-ethylpentan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731511

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 113499999) is N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(Cl)CCN(C)c1nccn2nc(C(C)C)cc12.
What is the InChIKey of N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is PUZHZGWOHGELAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10(2)12-9-13-14(16-6-8-19(13)17-12)18(4)7-5-11(3)15/h6,8-11H,5,7H2,1-4H3.
What are the key properties of N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113499999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).