4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine

C16H15ClN4 — CID 80939783

IUPAC4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H15ClN4/c1-2-6-15-19-14(17)9-16(20-15)21-11-13(10-18-21)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyFBIXZOBQMAKBHB-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.94
Rot. Bonds4

About 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine

4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine (PubChem CID 80939783) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine
PubChem CID80939783
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H15ClN4/c1-2-6-15-19-14(17)9-16(20-15)21-11-13(10-18-21)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyFBIXZOBQMAKBHB-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine (CID 80939783) is 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine?
The InChIKey is FBIXZOBQMAKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-2-6-15-19-14(17)9-16(20-15)21-11-13(10-18-21)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine?
4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine has a molecular weight of 298.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine is sourced from PubChem (CID 80939783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).