4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C15H10ClF3N4O — CID 58282666

IUPAC4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(-c2cccc(Cl)c2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C15H10ClF3N4O/c1-24-13-8-11(9-3-2-4-10(16)7-9)20-14(21-13)23-6-5-12(22-23)15(17,18)19/h2-8H,1H3
InChIKeyPBWDIBACLPEJFC-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.01
Rot. Bonds3

About 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 58282666) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID58282666
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOc1cc(-c2cccc(Cl)c2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C15H10ClF3N4O/c1-24-13-8-11(9-3-2-4-10(16)7-9)20-14(21-13)23-6-5-12(22-23)15(17,18)19/h2-8H,1H3
InChIKeyPBWDIBACLPEJFC-UHFFFAOYSA-N
XLogP4.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 58282666) is 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is COc1cc(-c2cccc(Cl)c2)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is PBWDIBACLPEJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-24-13-8-11(9-3-2-4-10(16)7-9)20-14(21-13)23-6-5-12(22-23)15(17,18)19/h2-8H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 354.72 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-methoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 58282666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).