N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine

C13H21N5 — CID 104730160

IUPACN'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
SMILESCC(C)c1cc2c(NCCCCN)nccn2n1
InChIInChI=1S/C13H21N5/c1-10(2)11-9-12-13(15-6-4-3-5-14)16-7-8-18(12)17-11/h7-10H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySLKTVZALVXGJKV-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.00
Rot. Bonds6

About N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine

N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine (PubChem CID 104730160) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
PubChem CID104730160
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
SMILESCC(C)c1cc2c(NCCCCN)nccn2n1
InChIInChI=1S/C13H21N5/c1-10(2)11-9-12-13(15-6-4-3-5-14)16-7-8-18(12)17-11/h7-10H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySLKTVZALVXGJKV-UHFFFAOYSA-N
XLogP2.00
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine 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

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
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
CID 106357724
N-(2-ethoxyethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730730
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine?
The IUPAC name of N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine (CID 104730160) is N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine?
The canonical SMILES for N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine is CC(C)c1cc2c(NCCCCN)nccn2n1.
What is the InChIKey of N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine?
The InChIKey is SLKTVZALVXGJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)11-9-12-13(15-6-4-3-5-14)16-7-8-18(12)17-11/h7-10H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine?
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine has a molecular weight of 247.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 104730160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).