2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine

C14H10N4 — CID 141372089

IUPAC2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cc3ncccn3n2)c2cc[nH]c2c1
InChIInChI=1S/C14H10N4/c1-3-10(11-5-7-15-12(11)4-1)13-9-14-16-6-2-8-18(14)17-13/h1-9,15H
InChIKeySKPGYOOIKUHSMC-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.88
Rot. Bonds1

About 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine

2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 141372089) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID141372089
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cc3ncccn3n2)c2cc[nH]c2c1
InChIInChI=1S/C14H10N4/c1-3-10(11-5-7-15-12(11)4-1)13-9-14-16-6-2-8-18(14)17-13/h1-9,15H
InChIKeySKPGYOOIKUHSMC-UHFFFAOYSA-N
XLogP2.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 141372089) is 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine is c1cc(-c2cc3ncccn3n2)c2cc[nH]c2c1.
What is the InChIKey of 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SKPGYOOIKUHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-3-10(11-5-7-15-12(11)4-1)13-9-14-16-6-2-8-18(14)17-13/h1-9,15H.
What are the key properties of 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine?
2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 234.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141372089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).