7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H10N4O — CID 1480420

IUPAC7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2ccnc3c(C#N)cnn23)cc1
InChIInChI=1S/C14H10N4O/c1-19-12-4-2-10(3-5-12)13-6-7-16-14-11(8-15)9-17-18(13)14/h2-7,9H,1H3
InChIKeyLZWNTYMHBWYFOQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.28
Rot. Bonds2

About 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1480420) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1480420
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2ccnc3c(C#N)cnn23)cc1
InChIInChI=1S/C14H10N4O/c1-19-12-4-2-10(3-5-12)13-6-7-16-14-11(8-15)9-17-18(13)14/h2-7,9H,1H3
InChIKeyLZWNTYMHBWYFOQ-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 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1480420) is 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2ccnc3c(C#N)cnn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LZWNTYMHBWYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-12-4-2-10(3-5-12)13-6-7-16-14-11(8-15)9-17-18(13)14/h2-7,9H,1H3.
What are the key properties of 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 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 7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).