5-butylpyrazolo[1,5-a]pyrimidine

C10H13N3 — CID 91109778

IUPAC5-butylpyrazolo[1,5-a]pyrimidine
SMILESCCCCc1ccn2nccc2n1
InChIInChI=1S/C10H13N3/c1-2-3-4-9-6-8-13-10(12-9)5-7-11-13/h5-8H,2-4H2,1H3
InChIKeyAEELGNFHWGJDHG-UHFFFAOYSA-N
MW175.24 g/mol
LogP2.07
Rot. Bonds3

About 5-butylpyrazolo[1,5-a]pyrimidine

5-butylpyrazolo[1,5-a]pyrimidine (PubChem CID 91109778) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 5-butylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-butylpyrazolo[1,5-a]pyrimidine
PubChem CID91109778
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name5-butylpyrazolo[1,5-a]pyrimidine
SMILESCCCCc1ccn2nccc2n1
InChIInChI=1S/C10H13N3/c1-2-3-4-9-6-8-13-10(12-9)5-7-11-13/h5-8H,2-4H2,1H3
InChIKeyAEELGNFHWGJDHG-UHFFFAOYSA-N
XLogP2.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-butylpyrazolo[1,5-a]pyrimidine (CID 91109778) is 5-butylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-butylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-butylpyrazolo[1,5-a]pyrimidine is CCCCc1ccn2nccc2n1.
What is the InChIKey of 5-butylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AEELGNFHWGJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-3-4-9-6-8-13-10(12-9)5-7-11-13/h5-8H,2-4H2,1H3.
What are the key properties of 5-butylpyrazolo[1,5-a]pyrimidine?
5-butylpyrazolo[1,5-a]pyrimidine has a molecular weight of 175.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91109778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).