5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine

C9H9ClN4 — CID 105370840

IUPAC5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ncncc2Cl)n1
InChIInChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-8(10)4-11-5-12-9/h3-5H,1-2H3
InChIKeyNGXYBOLRFPLXQR-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

About 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine

5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 105370840) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID105370840
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2ncncc2Cl)n1
InChIInChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-8(10)4-11-5-12-9/h3-5H,1-2H3
InChIKeyNGXYBOLRFPLXQR-UHFFFAOYSA-N
XLogP1.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 105370840) is 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1cc(C)n(-c2ncncc2Cl)n1.
What is the InChIKey of 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is NGXYBOLRFPLXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-3-7(2)14(13-6)9-8(10)4-11-5-12-9/h3-5H,1-2H3.
What are the key properties of 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine?
5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 105370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).