N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H18N4 — CID 103462545

IUPACN-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(C)(C)CNc1nccn2nccc12
InChIInChI=1S/C12H18N4/c1-4-12(2,3)9-14-11-10-5-6-15-16(10)8-7-13-11/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyPMQWTQSJGCGHKC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.58
Rot. Bonds4

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

N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 103462545) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID103462545
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCCC(C)(C)CNc1nccn2nccc12
InChIInChI=1S/C12H18N4/c1-4-12(2,3)9-14-11-10-5-6-15-16(10)8-7-13-11/h5-8H,4,9H2,1-3H3,(H,13,14)
InChIKeyPMQWTQSJGCGHKC-UHFFFAOYSA-N
XLogP2.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104734329
2-methyl-1-N-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,2-diamine
CID 104732795
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428
N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446309
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731641
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 114168556
2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
CID 106186000
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730459
N-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104730607
4,4-dimethyl-6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
CID 104729611
N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104732080
N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730521

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 103462545) is N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine is CCC(C)(C)CNc1nccn2nccc12.
What is the InChIKey of N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is PMQWTQSJGCGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-12(2,3)9-14-11-10-5-6-15-16(10)8-7-13-11/h5-8H,4,9H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 103462545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).