4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine

C16H27N5 — CID 106357724

IUPAC4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
SMILESCC(C)c1cc2c(NC(CCN)C(C)(C)C)nccn2n1
InChIInChI=1S/C16H27N5/c1-11(2)12-10-13-15(18-8-9-21(13)20-12)19-14(6-7-17)16(3,4)5/h8-11,14H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyCHTBTPHSCULWAQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.03
Rot. Bonds5

About 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine

4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine (PubChem CID 106357724) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
PubChem CID106357724
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine
SMILESCC(C)c1cc2c(NC(CCN)C(C)(C)C)nccn2n1
InChIInChI=1S/C16H27N5/c1-11(2)12-10-13-15(18-8-9-21(13)20-12)19-14(6-7-17)16(3,4)5/h8-11,14H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyCHTBTPHSCULWAQ-UHFFFAOYSA-N
XLogP3.03
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine with MolForge

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Related Compounds

N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
2-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,2-diamine
CID 104732624
(2S)-3-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butan-1-ol
CID 114983251
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-(3-ethylpentan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731511
N-(4-methoxybutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731643
N-(3-chlorobutyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113446632
N-(2-methoxy-2-methylpropyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104762524
4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanoic acid
CID 104729549
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 104730960
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
CID 107153114

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine?
The IUPAC name of 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine (CID 106357724) is 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine?
The canonical SMILES for 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine is CC(C)c1cc2c(NC(CCN)C(C)(C)C)nccn2n1.
What is the InChIKey of 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine?
The InChIKey is CHTBTPHSCULWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)12-10-13-15(18-8-9-21(13)20-12)19-14(6-7-17)16(3,4)5/h8-11,14H,6-7,17H2,1-5H3,(H,18,19).
What are the key properties of 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine?
4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine has a molecular weight of 289.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 106357724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).