2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine

C14H11ClN4 — CID 79073316

IUPAC2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H11ClN4/c1-10-7-16-14(15)18-13(10)19-9-12(8-17-19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyBEJHAXITKKMNIL-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.29
Rot. Bonds2

About 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine

2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine (PubChem CID 79073316) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine
PubChem CID79073316
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H11ClN4/c1-10-7-16-14(15)18-13(10)19-9-12(8-17-19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyBEJHAXITKKMNIL-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine (CID 79073316) is 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine is Cc1cnc(Cl)nc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine?
The InChIKey is BEJHAXITKKMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-10-7-16-14(15)18-13(10)19-9-12(8-17-19)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine?
2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 79073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).