7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C11H13N5 — CID 2819026

IUPAC7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1cc2ncc(C#N)c(N)n2n1
InChIInChI=1S/C11H13N5/c1-11(2,3)8-4-9-14-6-7(5-12)10(13)16(9)15-8/h4,6H,13H2,1-3H3
InChIKeyHFGNQTWEKBSHKJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.48
Rot. Bonds

About 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 2819026) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID2819026
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCC(C)(C)c1cc2ncc(C#N)c(N)n2n1
InChIInChI=1S/C11H13N5/c1-11(2,3)8-4-9-14-6-7(5-12)10(13)16(9)15-8/h4,6H,13H2,1-3H3
InChIKeyHFGNQTWEKBSHKJ-UHFFFAOYSA-N
XLogP1.48
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CID 2317988
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 2819026) is 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CC(C)(C)c1cc2ncc(C#N)c(N)n2n1.
What is the InChIKey of 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is HFGNQTWEKBSHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-11(2,3)8-4-9-14-6-7(5-12)10(13)16(9)15-8/h4,6H,13H2,1-3H3.
What are the key properties of 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-tert-butylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2819026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).