5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C8H6N4 — CID 45121237

IUPAC5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccn2ncc(C#N)c2n1
InChIInChI=1S/C8H6N4/c1-6-2-3-12-8(11-6)7(4-9)5-10-12/h2-3,5H,1H3
InChIKeyYVPHWSGHQPTTIB-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.91
Rot. Bonds

About 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 45121237) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID45121237
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccn2ncc(C#N)c2n1
InChIInChI=1S/C8H6N4/c1-6-2-3-12-8(11-6)7(4-9)5-10-12/h2-3,5H,1H3
InChIKeyYVPHWSGHQPTTIB-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 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 45121237) is 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccn2ncc(C#N)c2n1.
What is the InChIKey of 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YVPHWSGHQPTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-6-2-3-12-8(11-6)7(4-9)5-10-12/h2-3,5H,1H3.
What are the key properties of 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methylpyrazolo[1,5-a]pyrimidine-3-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 5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 45121237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).