3-pentylpyrazolo[1,5-a]pyrimidine

C11H15N3 — CID 66962823

IUPAC3-pentylpyrazolo[1,5-a]pyrimidine
SMILESCCCCCc1cnn2cccnc12
InChIInChI=1S/C11H15N3/c1-2-3-4-6-10-9-13-14-8-5-7-12-11(10)14/h5,7-9H,2-4,6H2,1H3
InChIKeyJCVUBCFIAGTLBG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.46
Rot. Bonds4

About 3-pentylpyrazolo[1,5-a]pyrimidine

3-pentylpyrazolo[1,5-a]pyrimidine (PubChem CID 66962823) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-pentylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-pentylpyrazolo[1,5-a]pyrimidine
PubChem CID66962823
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-pentylpyrazolo[1,5-a]pyrimidine
SMILESCCCCCc1cnn2cccnc12
InChIInChI=1S/C11H15N3/c1-2-3-4-6-10-9-13-14-8-5-7-12-11(10)14/h5,7-9H,2-4,6H2,1H3
InChIKeyJCVUBCFIAGTLBG-UHFFFAOYSA-N
XLogP2.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-pentylpyrazolo[1,5-a]pyrimidine (CID 66962823) is 3-pentylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-pentylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-pentylpyrazolo[1,5-a]pyrimidine is CCCCCc1cnn2cccnc12.
What is the InChIKey of 3-pentylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JCVUBCFIAGTLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-4-6-10-9-13-14-8-5-7-12-11(10)14/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 3-pentylpyrazolo[1,5-a]pyrimidine?
3-pentylpyrazolo[1,5-a]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66962823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).