5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine

C11H15N3 — CID 136607878

IUPAC5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(C)CC)Nc2ccnn21
InChIInChI=1S/C11H15N3/c1-4-8(2)10-7-9(3)14-11(13-10)5-6-12-14/h5-8,13H,3-4H2,1-2H3
InChIKeyMGGNIJVCZFUNKK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.71
Rot. Bonds2

About 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine

5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 136607878) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID136607878
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C(C)CC)Nc2ccnn21
InChIInChI=1S/C11H15N3/c1-4-8(2)10-7-9(3)14-11(13-10)5-6-12-14/h5-8,13H,3-4H2,1-2H3
InChIKeyMGGNIJVCZFUNKK-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine (CID 136607878) is 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(C(C)CC)Nc2ccnn21.
What is the InChIKey of 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is MGGNIJVCZFUNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-8(2)10-7-9(3)14-11(13-10)5-6-12-14/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine?
5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136607878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).