N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C12H18N4 — CID 104730931

IUPACN-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)C)nccn2n1
InChIInChI=1S/C12H18N4/c1-9-7-10-11(14-8-12(2,3)4)13-5-6-16(10)15-9/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyDAJRGNWNXQTCHC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730931) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730931
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)C)nccn2n1
InChIInChI=1S/C12H18N4/c1-9-7-10-11(14-8-12(2,3)4)13-5-6-16(10)15-9/h5-7H,8H2,1-4H3,(H,13,14)
InChIKeyDAJRGNWNXQTCHC-UHFFFAOYSA-N
XLogP2.50
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104730931) is N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC(C)(C)C)nccn2n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DAJRGNWNXQTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-7-10-11(14-8-12(2,3)4)13-5-6-16(10)15-9/h5-7H,8H2,1-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).