2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine

C9H9ClN4 — CID 66021586

IUPAC2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2ncccn2)c(Cl)c1C
InChIInChI=1S/C9H9ClN4/c1-6-7(2)13-14(8(6)10)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyMMQARLFYMRFLOX-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds1

About 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine

2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 66021586) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine
PubChem CID66021586
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2ncccn2)c(Cl)c1C
InChIInChI=1S/C9H9ClN4/c1-6-7(2)13-14(8(6)10)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyMMQARLFYMRFLOX-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

Analyze 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine (CID 66021586) is 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine is Cc1nn(-c2ncccn2)c(Cl)c1C.
What is the InChIKey of 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is MMQARLFYMRFLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-7(2)13-14(8(6)10)9-11-4-3-5-12-9/h3-5H,1-2H3.
What are the key properties of 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine?
2-(5-chloro-3,4-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 2-(5-chloro-3,4-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 66021586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).