5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C11H14N4 — CID 170417326

IUPAC5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CC(C)(C)c1cc(N)n2nccc2n1
InChIInChI=1S/C11H14N4/c1-4-11(2,3)8-7-9(12)15-10(14-8)5-6-13-15/h4-7H,1,12H2,2-3H3
InChIKeyAUZDTTZCCGAOOD-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.78
Rot. Bonds2

About 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170417326) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170417326
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CC(C)(C)c1cc(N)n2nccc2n1
InChIInChI=1S/C11H14N4/c1-4-11(2,3)8-7-9(12)15-10(14-8)5-6-13-15/h4-7H,1,12H2,2-3H3
InChIKeyAUZDTTZCCGAOOD-UHFFFAOYSA-N
XLogP1.78
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylbut-3-en-2-yl)pyridin-2-amine
CID 123849208
5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90754073
6-(2-methylbut-3-en-2-yl)pyridazin-3-amine
CID 123145044
5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 83705758
5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66584856
2-pentylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 22115526
4-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclohexan-1-one
CID 66733850
5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170418796
5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 121286564
3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one
CID 66733391
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
5-methylpyrazolo[1,5-a]pyridin-7-amine
CID 155885446

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170417326) is 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is C=CC(C)(C)c1cc(N)n2nccc2n1.
What is the InChIKey of 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AUZDTTZCCGAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-11(2,3)8-7-9(12)15-10(14-8)5-6-13-15/h4-7H,1,12H2,2-3H3.
What are the key properties of 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 202.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbut-3-en-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170417326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).