5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine

C15H12ClN3 — CID 67000939

IUPAC5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cc(C3CC3)n3nccc3n2)cc1
InChIInChI=1S/C15H12ClN3/c16-12-5-3-10(4-6-12)13-9-14(11-1-2-11)19-15(18-13)7-8-17-19/h3-9,11H,1-2H2
InChIKeyXQZRHEKABGYMAA-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.93
Rot. Bonds2

About 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine (PubChem CID 67000939) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
PubChem CID67000939
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2cc(C3CC3)n3nccc3n2)cc1
InChIInChI=1S/C15H12ClN3/c16-12-5-3-10(4-6-12)13-9-14(11-1-2-11)19-15(18-13)7-8-17-19/h3-9,11H,1-2H2
InChIKeyXQZRHEKABGYMAA-UHFFFAOYSA-N
XLogP3.93
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine (CID 67000939) is 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine is Clc1ccc(-c2cc(C3CC3)n3nccc3n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XQZRHEKABGYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-5-3-10(4-6-12)13-9-14(11-1-2-11)19-15(18-13)7-8-17-19/h3-9,11H,1-2H2.
What are the key properties of 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine has a molecular weight of 269.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67000939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).