N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine

C14H23N5 — CID 104729815

IUPACN'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H23N5/c1-14(2,3)12-10-11-13(18(4)8-5-6-15)16-7-9-19(11)17-12/h7,9-10H,5-6,8,15H2,1-4H3
InChIKeyYOMOOSZQWMOUJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds4

About N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine

N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 104729815) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID104729815
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C14H23N5/c1-14(2,3)12-10-11-13(18(4)8-5-6-15)16-7-9-19(11)17-12/h7,9-10H,5-6,8,15H2,1-4H3
InChIKeyYOMOOSZQWMOUJC-UHFFFAOYSA-N
XLogP1.81
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104733681
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 104734234
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,5-diamine
CID 107323432
4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
CID 138052927
2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
3-[3-aminopropyl(methyl)amino]-1-tert-butylpyrazin-2-one
CID 55155444
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine (CID 104729815) is N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is YOMOOSZQWMOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(2,3)12-10-11-13(18(4)8-5-6-15)16-7-9-19(11)17-12/h7,9-10H,5-6,8,15H2,1-4H3.
What are the key properties of N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine?
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 104729815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).