5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile

C14H10N4O — CID 165459430

IUPAC5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
SMILESCOc1ccc(-c2cnn3cccnc23)c(C#N)c1
InChIInChI=1S/C14H10N4O/c1-19-11-3-4-12(10(7-11)8-15)13-9-17-18-6-2-5-16-14(13)18/h2-7,9H,1H3
InChIKeyPZFHPGJHOFWSCH-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.28
Rot. Bonds2

About 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile

5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile (PubChem CID 165459430) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile.

Molecular Properties

Compound Name5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
PubChem CID165459430
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile
SMILESCOc1ccc(-c2cnn3cccnc23)c(C#N)c1
InChIInChI=1S/C14H10N4O/c1-19-11-3-4-12(10(7-11)8-15)13-9-17-18-6-2-5-16-14(13)18/h2-7,9H,1H3
InChIKeyPZFHPGJHOFWSCH-UHFFFAOYSA-N
XLogP2.28
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile?
The IUPAC name of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile (CID 165459430) is 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile.
What is the SMILES notation for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile?
The canonical SMILES for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile is COc1ccc(-c2cnn3cccnc23)c(C#N)c1.
What is the InChIKey of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile?
The InChIKey is PZFHPGJHOFWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-11-3-4-12(10(7-11)8-15)13-9-17-18-6-2-5-16-14(13)18/h2-7,9H,1H3.
What are the key properties of 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile?
5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzonitrile is sourced from PubChem (CID 165459430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).