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

C9H7Cl3N4 — CID 79631899

IUPAC2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2Cl)c(C)c1Cl
InChIInChI=1S/C9H7Cl3N4/c1-4-7(11)5(2)16(15-4)8-6(10)3-13-9(12)14-8/h3H,1-2H3
InChIKeySUJRPQIIKXMFLQ-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.24
Rot. Bonds1

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

2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 79631899) has the molecular formula C9H7Cl3N4 and a molecular weight of 277.54 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID79631899
Molecular FormulaC9H7Cl3N4
Molecular Weight277.54 g/mol
Exact Mass275.97
IUPAC Name2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2Cl)c(C)c1Cl
InChIInChI=1S/C9H7Cl3N4/c1-4-7(11)5(2)16(15-4)8-6(10)3-13-9(12)14-8/h3H,1-2H3
InChIKeySUJRPQIIKXMFLQ-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine (CID 79631899) is 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1nn(-c2nc(Cl)ncc2Cl)c(C)c1Cl.
What is the InChIKey of 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is SUJRPQIIKXMFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4/c1-4-7(11)5(2)16(15-4)8-6(10)3-13-9(12)14-8/h3H,1-2H3.
What are the key properties of 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine?
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 277.54 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 79631899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).