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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Related Compounds

4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 23477640
3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane
CID 165393306
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412
4-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 703896
5-(bromomethyl)-2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine
CID 107085726
2-(3,5-dimethylpyrazol-1-yl)pyridin-3-ol
CID 122205736
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
4-(5-tert-butyl-3-methylpyrazol-1-yl)-3,5-dichloropyridine
CID 4999242
2-(3,5-dimethylpyrazol-1-yl)-3-fluoropyridine
CID 63810538
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
[3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 59570672

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).