2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C12H7N5 — CID 82271984

IUPAC2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nn2cccnc12
InChIInChI=1S/C12H7N5/c13-8-10-11(9-2-5-14-6-3-9)16-17-7-1-4-15-12(10)17/h1-7H
InChIKeyHGTSOIDQZLEGOZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.66
Rot. Bonds1

About 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 82271984) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID82271984
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nn2cccnc12
InChIInChI=1S/C12H7N5/c13-8-10-11(9-2-5-14-6-3-9)16-17-7-1-4-15-12(10)17/h1-7H
InChIKeyHGTSOIDQZLEGOZ-UHFFFAOYSA-N
XLogP1.66
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 82271984) is 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(-c2ccncc2)nn2cccnc12.
What is the InChIKey of 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HGTSOIDQZLEGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c13-8-10-11(9-2-5-14-6-3-9)16-17-7-1-4-15-12(10)17/h1-7H.
What are the key properties of 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 82271984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).