2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H10N4 — CID 667725

IUPAC2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C10H10N4/c1-6-4-7(2)14-10(12-6)9(5-11)8(3)13-14/h4H,1-3H3
InChIKeySCQAKXWCGYKLFX-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.53
Rot. Bonds

About 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 667725) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID667725
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C10H10N4/c1-6-4-7(2)14-10(12-6)9(5-11)8(3)13-14/h4H,1-3H3
InChIKeySCQAKXWCGYKLFX-UHFFFAOYSA-N
XLogP1.53
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 667725) is 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(C)n2nc(C)c(C#N)c2n1.
What is the InChIKey of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SCQAKXWCGYKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-6-4-7(2)14-10(12-6)9(5-11)8(3)13-14/h4H,1-3H3.
What are the key properties of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 667725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).