5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine

C15H11N5 — CID 167839083

IUPAC5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-n2nccc2-c2ccn3nccc3n2)cc1
InChIInChI=1S/C15H11N5/c1-2-4-12(5-3-1)20-14(6-9-17-20)13-8-11-19-15(18-13)7-10-16-19/h1-11H
InChIKeyKHECNMWGDCVKAK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.58
Rot. Bonds2

About 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine

5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 167839083) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID167839083
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-n2nccc2-c2ccn3nccc3n2)cc1
InChIInChI=1S/C15H11N5/c1-2-4-12(5-3-1)20-14(6-9-17-20)13-8-11-19-15(18-13)7-10-16-19/h1-11H
InChIKeyKHECNMWGDCVKAK-UHFFFAOYSA-N
XLogP2.58
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine (CID 167839083) is 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(-n2nccc2-c2ccn3nccc3n2)cc1.
What is the InChIKey of 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KHECNMWGDCVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-4-12(5-3-1)20-14(6-9-17-20)13-8-11-19-15(18-13)7-10-16-19/h1-11H.
What are the key properties of 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine?
5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 261.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).