4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

C15H11F3N4O — CID 4093842

IUPAC4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)c1
InChIInChI=1S/C15H11F3N4O/c1-23-11-5-2-4-10(8-11)12-9-13(15(16,17)18)21-14(20-12)22-7-3-6-19-22/h2-9H,1H3
InChIKeyBUYUUUOBQAZMNI-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.36
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 4093842) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID4093842
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)c1
InChIInChI=1S/C15H11F3N4O/c1-23-11-5-2-4-10(8-11)12-9-13(15(16,17)18)21-14(20-12)22-7-3-6-19-22/h2-9H,1H3
InChIKeyBUYUUUOBQAZMNI-UHFFFAOYSA-N
XLogP3.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 6539389
CID 6539389
CID 25138076
CID 25138076
CID 6539375
CID 6539375
CID 6539385
CID 6539385
CID 6539411
CID 6539411
CID 4773323
CID 4773323
CID 1476968
CID 1476968
CID 1480420
CID 1480420
CID 5329459
CID 5329459
CID 5329465
CID 5329465
CID 6539381
CID 6539381
CID 6539382
CID 6539382

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (CID 4093842) is 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is COc1cccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BUYUUUOBQAZMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-23-11-5-2-4-10(8-11)12-9-13(15(16,17)18)21-14(20-12)22-7-3-6-19-22/h2-9H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 320.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 4093842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).