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

C9H10N4 — CID 30464906

IUPAC2-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ncccn2)n1
InChIInChI=1S/C9H10N4/c1-7-6-8(2)13(12-7)9-10-4-3-5-11-9/h3-6H,1-2H3
InChIKeyJLSPPWOUWBWYTQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.28
Rot. Bonds1

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

2-(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 30464906) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID30464906
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ncccn2)n1
InChIInChI=1S/C9H10N4/c1-7-6-8(2)13(12-7)9-10-4-3-5-11-9/h3-6H,1-2H3
InChIKeyJLSPPWOUWBWYTQ-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 30464906) is 2-(3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1cc(C)n(-c2ncccn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is JLSPPWOUWBWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-6-8(2)13(12-7)9-10-4-3-5-11-9/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)pyrimidine?
2-(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 30464906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).