2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile

C10H9N5 — CID 2766549

IUPAC2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)n(-c2ncc(C#N)cn2)n1
InChIInChI=1S/C10H9N5/c1-7-3-8(2)15(14-7)10-12-5-9(4-11)6-13-10/h3,5-6H,1-2H3
InChIKeySZFYVLYHQDPXNO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.15
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile

2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile (PubChem CID 2766549) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
PubChem CID2766549
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)n(-c2ncc(C#N)cn2)n1
InChIInChI=1S/C10H9N5/c1-7-3-8(2)15(14-7)10-12-5-9(4-11)6-13-10/h3,5-6H,1-2H3
InChIKeySZFYVLYHQDPXNO-UHFFFAOYSA-N
XLogP1.15
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile (CID 2766549) is 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile is Cc1cc(C)n(-c2ncc(C#N)cn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is SZFYVLYHQDPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-3-8(2)15(14-7)10-12-5-9(4-11)6-13-10/h3,5-6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile?
2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2766549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).