7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C8H6N4 — CID 82415789

IUPAC7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1c(C#N)cnc2ccnn12
InChIInChI=1S/C8H6N4/c1-6-7(4-9)5-10-8-2-3-11-12(6)8/h2-3,5H,1H3
InChIKeyJWSROIADKKHDEG-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.91
Rot. Bonds

About 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 82415789) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID82415789
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1c(C#N)cnc2ccnn12
InChIInChI=1S/C8H6N4/c1-6-7(4-9)5-10-8-2-3-11-12(6)8/h2-3,5H,1H3
InChIKeyJWSROIADKKHDEG-UHFFFAOYSA-N
XLogP0.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 82415789) is 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1c(C#N)cnc2ccnn12.
What is the InChIKey of 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JWSROIADKKHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-6-7(4-9)5-10-8-2-3-11-12(6)8/h2-3,5H,1H3.
What are the key properties of 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 82415789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).